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CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.
"KL Hamilton" "PC Chao"


Below you will find all the structures identified in the publication. Be warned that this does not imply any activity. n=10

ID: 1
InChIKey: TZBJGXHYKVUXJN-UHFFFAOYSA-N
SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment several

chemical graph of compound 1



CID is 5280961
synonyms found at PubChem are:
genistein, 446-72-0, Prunetol, Genisteol, 4',5,7-Trihydroxyisoflavone, Genisterin, Sophoricol, 5,7,4'-Trihydroxyisoflavone, 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, Bonistein, Genestein, Differenol A, NPI 031L, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, C.I. 75610, SIPI 807-1, 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one, UNII-DH2M523P0H, NSC 36586, 4,5,7-Trihydroxyiso-flavone, Lactoferrin-genistein, CCRIS 7675, 4',5, 7-Trihydroxyisoflavone, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, NSC36586, CHEMBL44, EINECS 207-174-9, IN1327, BRN 0263823, PTI G4660 (Genistein), ISOFLAVONE, 4',5,7-TRIHYDROXY-, MLS000738127, DH2M523P0H, STO514, CHEBI:28088, PTI-G4660, SIPI-9764-I, TZBJGXHYKVUXJN-UHFFFAOYSA-N, 4′,5,7-Trihydroxyisoflavone, TNP00151, NSC-36586, GENISTEIN (ENDOCRINE DISRUPTER), GEN, NCGC00015479-09, DSSTox_CID_2308, G 6649, G10000, DSSTox_RID_76542, DSSTox_GSID_22308, ENDOCRINE DISRUPTOR (GENISTEIN) (SEE ALSO GENISTEIN (446-72-0)), CAS-446-72-0, SR-01000075498, HSDB 7475, PTI G4660, 3kgt, 3kgu, 4&prime, Genistein, 8, Genistein,(S), PTI-G 4660, Genistein (flavonoid), PubChem9852, Spectrum_000320, Tocris-1110, 1x7r, 2qa8, Genistein 85% HPLC, SpecPlus_000305, AC1NQXT4, Spectrum2_000638, Spectrum3_000678, Spectrum4_001543, Spectrum5_000106, Lopac-G-6649, 4',7-Trihydroxyisoflavone, D0L4FS, MolMap_000022, UPCMLD-DP096, 4,5,7-Trihydroxyisoflavone, 4,6,7-Trihydroxyisoflavone, Isoflavone,5,7-trihydroxy-, Lopac0_000520, Oprea1_224620, Oprea1_437815, SCHEMBL19166, BSPBio_002375, KBioGR_002006, KBioGR_002564, KBioSS_000800, KBioSS_002573, SPECTRUM210296, 5-18-04-00594 (Beilstein Handbook Reference), BIDD:ER0113, DivK1c_006401, Genistein, analytical standard, SPBio_000636, 4',5,7-Trihydroxy isoflavone, 4',5,7-trihydroxy-Isoflavone, GTPL2826, MEGxp0_000568, 4,5,7-Trihydroxy Iso-Flavone, DTXSID5022308, UPCMLD-DP096:001, ACon1_001065, BDBM19459, cid_5280961, KBio1_001345, KBio2_000800, KBio2_002564, KBio2_003368, KBio2_005132, KBio2_005936, KBio2_007700, KBio3_001595, KBio3_003042, AOB5073, CHEBI: 28088, cMAP_000086, MolPort-000-003-911, Bio1_000445, Bio1_000934, Bio1_001423, HMS2271K09, HMS3261H21, HMS3267K14, HMS3428M01, HMS3649B22, HMS3654D17, ACT05962, ALBB-015886, BCP07581, KS-00000MH8, Prunetol solution, 20 mM in DMSO, Tox21_110161, Tox21_201428, Tox21_300585, Tox21_500520, AC-472, BBL010484, CCG-38551, CG-009, Genistein solution, 20 mM in DMSO, LMPK12050218, MFCD00016952, s1342, SBB066115, STK801619, ZINC18825330, AKOS001590147, Tox21_110161_1, CS-1534, DB01645, KS-5128, LP00520, LS-1266, MCULE-4857649752, RL03694, RP29616, SMP1_000133, Genistein; 4',5,7-Trihydroxyisoflavone, NCGC00015479-01, NCGC00015479-02, NCGC00015479-04, NCGC00015479-05, NCGC00015479-06, NCGC00015479-07, NCGC00015479-08, NCGC00015479-10, NCGC00015479-11, NCGC00015479-12, NCGC00015479-13, NCGC00015479-14, NCGC00015479-15, NCGC00015479-16, NCGC00015479-17, NCGC00015479-18, NCGC00015479-19, NCGC00015479-20, NCGC00025005-01, NCGC00025005-02, NCGC00025005-03, NCGC00025005-04, NCGC00025005-05, NCGC00025005-06, NCGC00025005-07, NCGC00169711-01, NCGC00169711-02, NCGC00254275-01, NCGC00258979-01, NCGC00261205-01, 690224-00-1, AJ-70669, AN-15821, BC200563, HY-14596, KB-52241, NCI60_003369, SC-04581, SMR000112580, ST056352, AB1004490, EU-0100520, FT-0603395, G0272, N1861, Genistein, disposable screening library format, 46G720, C06563, G-2535, Genistein, synthetic, >=98% (HPLC), powder, J10015, K00046, S-7751, US8552057, 2, AB00052696_09, AB00052696_12, A826657, Genistein, primary pharmaceutical reference standard, I06-0431, Q-100484, SR-01000075498-1, SR-01000075498-3, SR-01000075498-6, 3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one, 4 inverted exclamation marka,5,7-Trihydroxyisoflavone, BRD-K43797669-001-02-3, BRD-K43797669-001-03-1, BRD-K43797669-001-10-6, Genistein, from Glycine max (soybean), ~98% (HPLC), SR-01000075498-10, 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one, F0001-2388, 4H-1-Benzopyran-4-one,7-dihydroxy-3-(4-hydroxyphenyl)-, UNII-71B37NR06D component TZBJGXHYKVUXJN-UHFFFAOYSA-N, Genistein, United States Pharmacopeia (USP) Reference Standard, Genistein, Pharmaceutical Secondary Standard; Certified Reference Material, 4 inverted exclamation marka,5,7-Trihydroxyisoflavone; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

ID: 37
InChIKey: HJORMJIFDVBMOB-UHFFFAOYSA-N
SMILES: COC1=C(C=C(C=C1)C2CC(=O)NC2)OC3CCCC3

biological descriptors:

CFTR relevance: Phosphodiesterase 4 inhibitor

Category:
Influence on CFTR function none
Order of interaction indirect
subcellular compartment several

chemical graph of compound 37



CID is 5092
synonyms found at PubChem are:
rolipram, 61413-54-5, ZK 62711, Rolipramum, Rolipramum [Latin], 4-[3-(Cyclopentyloxy)-4-methoxyphenyl]-2-pyrrolidinone, Adeo, (+/-)-Rolipram, 4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one, Rolipram [USAN:INN], [3H]rolipram, 4-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-pyrrolidinone, 4-(3-(cyclopentyloxy)-4-methoxyphenyl)pyrrolidin-2-one, (R,S)-rolipram, [3H]-rolipram, ZK-62711, CHEMBL63, EINECS 262-771-1, BRN 1588548, MLS000069691, CHEBI:104872, HJORMJIFDVBMOB-UHFFFAOYSA-N, 4-(3-Cyclopentyloxy-4-methoxyphenyl)-2-pyrrolidone, IN1123, 4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one, ME-3167, 2-Pyrrolidinone, 4-[3-(cyclopentyloxy)-4-methoxyphenyl]-, SB 95952, SMR000058510, DSSTox_CID_24124, DSSTox_RID_80104, DSSTox_GSID_44124, 4-[3-(cyclopentoxy)-4-methoxy-phenyl]pyrrolidin-2-one, 2-Pyrrolidinone, 4-(3-(cyclopentyloxy)-4-methoxyphenyl)-, (4R)-4-[3-(Cyclopentyloxy)-4 Methoxyphenyl)pyrrolidin-2-one, CPD000058510, SR-01000000162, (plusmn)-rolipram, NCGC00016899-01, CAS-61413-54-5, AC1L1JLC, Opera_ID_1749, Prestwick0_000924, Prestwick1_000924, Prestwick2_000924, Prestwick3_000924, D05HPY, D0T5PO, UPCMLD-DP110, AC1Q6O0R, Lopac0_001072, SCHEMBL27930, BSPBio_000828, BSPBio_001356, KBioGR_000076, KBioSS_000076, Rolipram (JAN/USAN/INN), MLS000758273, MLS000759531, MLS001146912, MLS001424084, MLS006010272, SPBio_003007, BPBio1_000912, GTPL5260, GTPL5313, Pyrrolidone, 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-, DTXSID3044124, UPCMLD-DP110:001, UPCMLD-DP110:002, BDBM14361, CTK5F4996, KBio2_000076, KBio2_002644, KBio2_005212, KBio3_000151, KBio3_000152, AOB5326, MolPort-000-860-686, Bio2_000076, Bio2_000556, HMS1361D18, HMS1570J10, HMS1791D18, HMS1989D18, HMS2051N15, HMS2090J16, HMS2097J10, HMS2232F06, HMS3263G06, HMS3267A05, HMS3369J08, HMS3393N15, HMS3402D18, HMS3654P06, HMS3655J21, HMS3714J10, Pharmakon1600-01505683, BCP21910, BCP23388, KS-000004QI, ZX-AN014777, Tox21_110672, Tox21_501072, 2028AH, 2691AH, BS0164, MFCD00270906, NSC760125, Rolipram, solid, >=98% (HPLC), s1430, AKOS015959793, Tox21_110672_1, CCG-100965, CCG-205149, CS-1754, DB01954, INB0003603, KS-1400, LP01072, NC00215, NSC-760125, IDI1_033826, NCGC00015898-03, NCGC00015898-04, NCGC00015898-05, NCGC00015898-06, NCGC00015898-07, NCGC00015898-08, NCGC00015898-09, NCGC00015898-11, NCGC00015898-12, NCGC00015898-15, NCGC00089796-02, NCGC00089796-04, NCGC00089796-05, NCGC00089796-06, NCGC00089796-07, NCGC00089796-08, NCGC00261757-01, AK174013, AN-39288, BC660173, HY-16900, KB-86388, SAM001246766, SAM001246998, SC-47452, ZK-62771, SBI-0051042.P002, AB0109850, LS-138709, ZK 62 711, AB00513966, EU-0101072, FT-0738515, R0110, ST50405218, D01783, R 6520, AB00384360-17, AB00384360_19, 4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidinone, SR-01000000162-3, SR-01000000162-4, SR-01000000162-5, SR-01000000162-9, 4-[3-Cyclopentyloxy-4-methoxyphenyl]-2-pyrrolidinone, BRD-A34255068-001-04-8, BRD-A34255068-001-26-1, SR-01000000162-12, 4-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-pyrrolidinon, 4-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrrolidin-2-one, 4-(3-cyclopentyloxy-4-methoxy-phenyl)pyrrolidin-2-one, 4-(3-cyclopentyloxy-4-methoxyphenyl)-pyrrolidin-2-one, 4-[4-Methoxy-3-(cyclopentyloxy)phenyl]-2-pyrrolidinone, 2-Pyrrolidinone,4-[3-(cyclopentyloxy)-4-methoxyphenyl]-, 2-Pyrrolidinone, 4-[3-(cyclopentyloxy)-4-methoxyphenyl]- (9CI), ZK 62711, SB 95952, ME-3167, Adeo, 61413-54-5

ID: 972
InChIKey: IOSAAWHGJUZBOG-WDEREUQCSA-N
SMILES: CCCCCC[C@H]([C@H](C)O)N1C=NC2=C1N=CN=C2N

biological descriptors:

CFTR relevance: Phosphodiesterase 2 inhibitor

Category:
Influence on CFTR function none
Order of interaction indirect
subcellular compartment several

chemical graph of compound 972



CID is 149790
synonyms found at PubChem are:
(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol, (+)-EHNA, (2S,3R)-EHNA, CHEMBL296435, CHEBI:63059, (2S,3R)-3-(6-aminopurin-9-yl)nonan-2-ol, 79813-69-7, (S,R)-6-amino-beta-hexyl-alpha-methyl-9H-purine-9-ethanol, HWC 46, 2z7g, AC1L3ZQL, (+)-erythro-9-(2-Hydroxy-3-nonyl)adenine, D0V4WB, SCHEMBL1742728, BDBM28393, CTK2H9986, IOSAAWHGJUZBOG-WDEREUQCSA-N, EH9, ZINC1558334, (S-(R*,S*))-6-Amino-beta-hexyl-alpha-methyl-9H-purine-9-ethanol, 9H-Purine-9-ethanol, 6-amino-beta-hexyl-alpha-methyl-, (S-(R*,S*))-, AKOS030531307, DB07711, Erythro-9-(2 Hydroxy 3-Nonyl)Adenine, NCI60_002100

ID: 2804
InChIKey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2

biological descriptors:

CFTR relevance: Nonspecific phosphodiesterase inhibitor

Category:
Influence on CFTR function enhances CFTR function
Order of interaction indirect
subcellular compartment Apical membrane & subapical compartment

chemical graph of compound 2804



CID is 2153
synonyms found at PubChem are:
theophylline, 58-55-9, 1,3-Dimethylxanthine, Elixophyllin, Theophyllin, Theolair, Nuelin, Theophylline anhydrous, Respbid, Theocin, Theo-dur, Elixophylline, Pseudotheophylline, Lanophyllin, Theovent, Uniphyl, Slo-phyllin, Accurbron, Armophylline, Bronkodyl, Doraphyllin, Liquophylline, Maphylline, Medaphyllin, Optiphyllin, Parkophyllin, Synophylate, Teofyllamin, Theacitin, Theocontin, Uniphyllin, Xantivent, Aerolate, Elixicon, Solosin, Teolair, Theobid, Theofol, Theograd, Theolix, Elixex, Acet-theocin, Slo-bid, Theophyl-225, Aerolate III, Duraphyl, Euphylong, Sustaire, Austyn, Somophyllin-t, Constant-T, Teofilina, Theochron, Xanthium, Asmax, Quibron T/SR, Theal tablets, Somophyllin-DF, Bronkodyl SR, Theoclair-SR, Theoclear LA, Spophyllin retard, Choledyl SA, Quibron-T, Theoclear 80, Aquaphyllin, Aerobin, Tefamin, Theo-11, Theodur, Theopek, Theospan, Theostat 80, Synophylate-L.A. Cenules, Theophylline, anhydrous, Theo-24, Theo-Dur-Sprinkle, LaBID, Cetraphylline, Chronophyllin, Diffumal, Duraphyllin, Elixomin, Etheophyl, Theolixir, Theophyl, Theophyline, Theostat, Theodel, Unifyl, LASMA, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, Elixophyllin SR, Theophylline-SR, Pro-vent, Somophyllin-CRT, Constant T, Aerolate SR, Theolair-SR, Theophyl-SR, 1,3-dimethyl-7H-purine-2,6-dione, Theona P, Uni-Dur, Theoclear-80, Quibron-T/SR, T-Phyl, Euphylline, Theoclear-200, Teofilina [Polish], Labophylline, Uniphylline, Afonilm, Bilordyl, Bronkotabs, Egifilin, Mudrane, Physpan, Pulmidur, Teonova, Theokin, Theonite, Asbron, Hylate, Afonilum Retard, Somophyllin T, Theo-Organidin, GS 2591A, Nuelin SA, 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione, Bronchodid Duracap, Theobid Jr., Theoclear L.A.-130, Uniphyllin continus, Quibron T-SR, Xanthine, 1,3-dimethyl-, Dimethylxanthine, NSC 2066, Teocen 200, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, X 115, Bronchoretard, Theo 24, Afonilum, Asmalix, Quadrinal, Respicur, Talotren, Teosona, Theoclear, Theodrip, Theoplus, Theotard, Unilong, Respid, Tesona, Pulmo-Timelets, Theobid Duracap, Elixophyllin(e), Somophyllin CRT, Quibron T, Theo-Nite, Theal tabl., Theodur Dry Syrup, Nuelin S.A, Telb-DS, Theo-DS, Theolair (TN), 1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, Bronchoparat, Elixophyllin (TN), Uniphyl (TN), Quibron-t (TN), SloPhyllin, SomophyllinT, UNII-0I55128JYK, ConstantT, Theodur G (TN), CCRIS 4729, Slo Phyllin, theo von ct, HSDB 3399, Theo Dur, Quibron TSR, ct, theo von, von ct, theo, Purine-2,6(1H,3H)-dione, 1,3-dimethyl-, Quibron T SR, EINECS 200-385-7, Nuelin S.A., CHEMBL190, Theo-24 (TN), Theo24, Theophylline [USP], C7H8N4O2, THEOBID JR, AI3-50216, MLS000069390, CHEBI:28177, ZFXYFBGIUFBOJW-UHFFFAOYSA-N, 0I55128JYK, 2,6-Dihydroxy-1,3-dimethylpurine, Euphyllin, 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine, 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, Theodur G, NCGC00018117-07, NCGC00018117-17, SMR000058537, DSSTox_CID_1336, 1,3-dimethyl-1,3,7-trihydropurine-2,6-dione, Aminophylline dihydrate, DSSTox_RID_76090, DSSTox_GSID_21336, CAS-58-55-9, 111079-49-3, 75448-53-2, Theoconfin Continuous, Glycine Theophyllinate, 1,3 Dimethylxanthine, 1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione, SR-01000075195, throphylline, Telbans, Physpa, Telbans DrySyrup, Unicontin CR, 4eoh, Aescin-IIA, Telbans Dry Syrup, PubChem9695, Theophylline 454g, theophylline solu-tion, component of Primatene, Theophylline-[8-3H, Xanthine,3-dimethyl-, Opera_ID_76, Spectrum_001038, Theophylline (JP15), Theophylline (JP17), 2a3a, Theophylline aminoacetate, Theophylline (anhydrous), Prestwick0_000820, Prestwick0_000873, Prestwick1_000820, Prestwick1_000873, Prestwick2_000820, Prestwick2_000873, Prestwick3_000820, Prestwick3_000873, Spectrum2_000842, Spectrum3_000672, Spectrum4_000353, Spectrum5_001232, 8-(2-Furyl)theophylline, D0F8RA, UPCMLD-DP123, component of Theo-Organidin, EC 200-385-7, AC1L1D1F, SCHEMBL4915, Theophylline Anhydrous,(S), Theophylline Anhydrous, USP, Lopac0_000014, BSPBio_000719, BSPBio_000945, BSPBio_002363, component of Dicurin Procaine, GTPL413, KBioGR_000785, KBioSS_001518, 49746-06-7, KSC491S8L, MLS002152943, MLS002153487, MLS004491910, MLS006011970, ARONIS25346, BIDD:ER0557, BIDD:GT0151, DivK1c_000203, SPECTRUM1500568, SPBio_000823, SPBio_002640, SPBio_002866, BPBio1_000791, BPBio1_001041, SCHEMBL8312163, component of Tedral (Salt/Mix), DTXSID5021336, UPCMLD-DP123:001, BCBcMAP01_000071, BDBM10847, BDBM82053, component of Quibron (Salt/Mix), CTK3J1985, HMS500K05, KBio1_000203, KBio2_001518, KBio2_004086, KBio2_006654, KBio3_001583, NSC2066, component of Hecadrol (Salt/Mix), MolPort-001-002-058, MolPort-001-737-342, NINDS_000203, HMS1921E03, HMS2089A06, HMS2092M05, HMS2233E16, HMS3259O06, HMS3369N14, Pharmakon1600-01500568, component of Primatene (Salt/Mix), component of Bronkotabs (Salt/Mix), HY-B0809, NSC-2066, Theophylline 1.0 mg/ml in Methanol, Theophylline, >=99.0% (HPLC), Tox21_110827, Tox21_202375, Tox21_300028, BBL023514, CCG-20301, LS-241, MFCD00079619, NSC757346, PDSP1_001018, PDSP1_001234, PDSP2_001002, PDSP2_001218, STK397040, Theophylline (1,3-dimethylxanthine), ZINC18043251, AKOS000120961, AKOS005434016, component of Quibron Plus (Salt/Mix), Tox21_110827_1, component of Quibron-T/SR (Salt/Mix), component of Theo-organdin (Salt/Mix), component of Theolair plus (Salt/Mix), CS-4158, DB00277, MCULE-8236489917, NC00542, NE11194, NSC-757346, Purine-2,3H)-dione, 1,3-dimethyl-, RP24142, SDCCGMLS-0066620.P001, component of Theo-Organidin (Salt/Mix), IDI1_000203, KS-000010T0, KS-0000477R, SMP1_000291, component of Slo-phyllin GG (Salt/Mix), NCGC00018117-01, NCGC00018117-02, NCGC00018117-03, NCGC00018117-04, NCGC00018117-05, NCGC00018117-06, NCGC00018117-08, NCGC00018117-09, NCGC00018117-10, NCGC00018117-11, NCGC00018117-12, NCGC00018117-13, NCGC00018117-14, NCGC00018117-15, NCGC00018117-16, NCGC00018117-18, NCGC00018117-19, NCGC00018117-20, NCGC00018117-23, NCGC00022112-03, NCGC00022112-04, NCGC00022112-05, NCGC00022112-07, NCGC00022112-08, NCGC00022112-09, NCGC00022112-10, NCGC00022112-11, NCGC00022112-12, NCGC00254040-01, NCGC00259924-01, WLN: T56 BM DN FNVNVJ F1 H1, AC-20328, AN-23602, component of Dicurin Procaine (Salt/Mix), CPD000058537, NCI60_001736, SAM002554935, SC-05534, SC-95891, SMR003435989, ST024762, Theophylline, anhydrous, >=99%, powder, component of Primatene tablets (Salt/Mix), Purine,6(1H,3H)-dione, 1,3-dimethyl-, SBI-0050003.P004, AB1009249, component of Mudrane GG elixir (Salt/Mix), DB-053224, 1H-Purine-2, 3,7-dihydro-1,3-dimethyl-, AB00052106, FT-0631259, N1442, 1,3-dimethyl-1H-purine-2,6(3H,9H)-dione, 6461-EP1441224A2, 6461-EP2272835A1, 6461-EP2272841A1, 6461-EP2272844A1, 6461-EP2280006A1, 6461-EP2281813A1, 6461-EP2281815A1, 6461-EP2286811A1, 6461-EP2295434A2, 6461-EP2298305A1, 6461-EP2301933A1, 6461-EP2301936A1, 6461-EP2301937A1, 6461-EP2305219A1, 6461-EP2305640A2, 6461-EP2308562A2, 6461-EP2311827A1, 6461-EP2314590A1, C07130, D00371, 83377-EP2371823A1, AB00052106-20, AB00052106-22, AB00052106-23, AB00052106_24, AB00052106_25, AB00052106_26, 3,7-dihydro-1,3-dimethyl-1H- purine-2,6-dione, L000595, 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione #, Q-201819, SR-01000075195-1, SR-01000075195-3, SR-01000075195-5, 1,3-Dimethyl-6-hydroxy-1,3-dihydro-2H-purin-2-one, BRD-K97799481-001-02-0, BRD-K97799481-001-12-9, BRD-K97799481-002-03-6, I14-16783, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, mo, F2173-0145, Z271004650, A3133D49-AAB6-49A1-B60B-B5198F327D3F, Theophylline, British Pharmacopoeia (BP) Reference Standard, Theophylline, European Pharmacopoeia (EP) Reference Standard, (8alpha, 9S)-10,11-Dihydro-6'-methoxycinchonan-9-amine trihydrochloride, min. 90%, Theophylline melting point standard, United States Pharmacopeia (USP) Reference Standard, Theophylline, Pharmaceutical Secondary Standard; Certified Reference Material, 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine; 1,3-Dimethylxanthine; 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, 46157-00-0, 56645-32-0, InChI=1/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9, Theophylline melting point standard, Pharmaceutical Secondary Standard; Certified Reference Material, Theophylline, certified reference material, United States Pharmacopeia (USP) Reference Standard

ID: 970
InChIKey: IOSAAWHGJUZBOG-MNOVXSKESA-N
SMILES: CCCCCC[C@@H]([C@@H](C)O)N1C=NC2=C1N=CN=C2N

biological descriptors:

CFTR relevance: Phosphodiesterase 2 inhibitor

Category:
Influence on CFTR function none
Order of interaction indirect
subcellular compartment several

chemical graph of compound 970



CID is 149784
synonyms found at PubChem are:
(2R,3S)-3-(6-amino-9H-purin-9-yl)nonan-2-ol, CHEMBL50378, (2R,3S)-EHNA, CHEBI:63058, 79813-68-6, (2R,3S)-3-(adenin-9-yl)-2-nonanol, (2R,3S)-9-(2-hydroxy-3-nonyl)adenine, 9H-Purine-9-ethanol, 6-amino-beta-hexyl-alpha-methyl-, (R*,S*)-(+-)-, EHNA, 79763-32-9, (R,S)-6-amino-beta-hexyl-alpha-methyl-9H-purine-9-ethanol, (2R,3S)-3-(6-aminopurin-9-yl)nonan-2-ol, EHNA.HCl, 51350-19-7, HWC 52, eh-na, Tocris-1261, AC1Q2VOZ, (-)-erythro-9-(2-hydroxy-3-nonyl)adenine, AC1L3ZQ9, Lopac0_000504, BSPBio_001061, KBioGR_000401, KBioSS_000401, SCHEMBL1742893, DTXSID6043880, BCBcMAP01_000066, CTK2H9386, KBio2_000401, KBio2_002969, KBio2_005537, KBio3_000761, KBio3_000762, IOSAAWHGJUZBOG-MNOVXSKESA-N, Bio1_000430, Bio1_000919, Bio1_001408, Bio2_000361, Bio2_000841, HMS1792E03, HMS1990E03, HMS3403E03, ZINC1614354, (R*,S*)-(+-)-6-Amino-beta-hexyl-alpha-methyl-9H-purine-9-ethanol, (R-(R*,S*))-6-Amino-beta-hexyl-alpha-methyl-9H-purine-9-ethanol, BDBM50034908, CCG-36414, 9H-Purine-9-ethanol, 6-amino-beta-hexyl-alpha-methyl-, (R-(R*,S*))-, 3-(6-Amino-purin-9-yl)-nonan-2-ol, IDI1_002116, SMP2_000310, NCGC00025087-01, NCGC00025087-02, NCGC00025087-03, NCGC00025087-04, NCGC00025087-05, NCGC00025087-06, (EHNA)3-(6-Amino-purin-9-yl)-nonan-2-ol, 3-(6-Amino-purin-9-yl)-nonan-2-ol(EHNA), (2R,3S)-3-(6-Amino-purin-9-yl)-nonan-2-ol, (2R,3S)-3-(6-Amino-9H-purine-9-yl)2-nonanol, (2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol, BRD-K27450477-001-03-9, (r-6-amino-beta-hexyl-alpha-methyl-9h-purine-9-ethanol

ID: 847
InChIKey: HJORMJIFDVBMOB-LBPRGKRZSA-N
SMILES: COC1=C(C=C(C=C1)[C@H]2CC(=O)NC2)OC3CCCC3

biological descriptors:

CFTR relevance: Phosphodiesterase 4 inhibitor

Category:
Influence on CFTR function none
Order of interaction indirect
subcellular compartment several

chemical graph of compound 847



CID is 448055
synonyms found at PubChem are:
(R)-(-)-Rolipram, 85416-75-7, (R)-ROLIPRAM, (R)-4-(3-(cyclopentyloxy)-4-methoxyphenyl)pyrrolidin-2-one, (-)-ROLIPRAM, (4R)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-2-ONE, R-Rolipram, UNII-DPX51KUP08, DPX51KUP08, CHEMBL430893, CHEBI:40133, 1xmy, NCGC00016899-01, CAS-61413-54-5, Rolipram, (R)-, Rolipram, (-)-, PubChem18284, Tocris-0905, Tocris-1349, Tocris-1350, 1q9m, 1ro6, 3g4k, AC1L9LJS, Lopac-R-6520, D01RUN, (R)-4-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrrolidin-2-one, SCHEMBL576805, ZINC4982, KS-00000QDB, MolPort-003-983-801, HMS3267P19, BCP14111, ANW-64684, BDBM50042058, HY-16900A, AKOS015891287, CCG-208064, CS-3246, DB04149, NCGC00015898-01, NCGC00015898-02, NCGC00015898-10, NCGC00016899-02, NCGC00016899-03, NCGC00016899-04, NCGC00016899-05, NCGC00024862-01, NCGC00024862-02, NCGC00024862-03, AC-22384, AJ-08238, AS-31755, P623, ZB000602, KB-210162, TC-153429, R0182, 416R757, SR-01000597573, I01-8873, SR-01000597573-1, BRD-K75516118-001-01-7, (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one, UNII-K676NL63N7 component HJORMJIFDVBMOB-LBPRGKRZSA-N, (R)-(-)-4-[3-(Cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one, 2-Pyrrolidinone, 4-(3-(cyclopentyloxy)-4-methoxyphenyl)-, (R)-, 2-Pyrrolidinone, 4-[3-(cyclopentyloxy)-4-methoxyphenyl]-, (4R)-, 4RR, 4SR

ID: 971
InChIKey: IOSAAWHGJUZBOG-UHFFFAOYSA-N
SMILES: CCCCCCC(C(C)O)N1C=NC2=C1N=CN=C2N

biological descriptors:

CFTR relevance: Phosphodiesterase 2 inhibitor

Category:
Influence on CFTR function none
Order of interaction indirect
subcellular compartment several

chemical graph of compound 971



CID is 3206
synonyms found at PubChem are:
9-(2-hydroxy-3-nonyl)adenine, erythro-9-(2-hydroxy-3-nonyl)adenine, EHNA, 59262-86-1, 3-(6-amino-9h-purin-9-yl)nonan-2-ol, C14H23N5O, 3-(6-aminopurin-9-yl)nonan-2-ol, 6-Amino-beta-hexyl-alpha-methyl-9H-purine-9-ethanol, Erythro-9-[3-(2-hydroxynonyl)] adenine, 9H-Purine-9-ethanol, 6-amino-beta-hexyl-alpha-methyl-, threo-9-(2-hydroxy-3-nonyl)adenine, NSC 263164, erythro-9-(2-hydroxynon-3-yl)adenine, erythro-9-(3-(2-hydroxynonyl))adenine, AC1L1FEW, AC1Q4VGH, 51350-19-7, 6-amino beta-hexyl alpha-methyl-9H-purine-9-ethanol, SCHEMBL1740490, BDBM22926, CTK5A9678, 9-(2-hydroxy-3-nonyl) adenine, DTXSID70110044, (R*,S*)-6-Amino-beta-hexyl-alpha-methyl-9H-purine-9-ethanol, 9H-Purine-9-ethanol, 6-amino-beta-hexyl-alpha-methyl-, (R*,S*)-, AKOS030562483, 9-erythro-(2-hydroxy-3-nonyl)adenine, 3-(6-Amino-9H-purin-9-yl)-2-nonanol, LS-176000, FT-0639990, 9H-Purine-9-ethanol,6-amino-b-hexyl-a-methyl-, 6-Amino-9-[1-(1-hydroxyethyl)heptyl]-9H-purine, L001098

ID: 846
InChIKey: HJORMJIFDVBMOB-GFCCVEGCSA-N
SMILES: COC1=C(C=C(C=C1)[C@@H]2CC(=O)NC2)OC3CCCC3

biological descriptors:

CFTR relevance: Phosphodiesterase 4 inhibitor

Category:
Influence on CFTR function none
Order of interaction indirect
subcellular compartment several

chemical graph of compound 846



CID is 158758
synonyms found at PubChem are:
(S)-(+)-rolipram, 85416-73-5, S-(+)-Rolipram, (S)-ROLIPRAM, (+)-rolipram, S- (+)-Rolipram, UNII-H6G4VMQ24K, H6G4VMQ24K, CHEMBL325795, CHEBI:59540, (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-2-ONE, (S)-4-(3-(cyclopentyloxy)-4-methoxyphenyl)pyrrolidin-2-one, (4S)-4-[3-(Cyclopentyloxy)-4-methoxyphenyl]-pyrrolidin-2-one, S-rolipram, 1oyn, Rolipram, (+)-, 1xn0, AC1L4KJV, D02FZD, (R)-4-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrrolidin-2-one, MLS006011228, SCHEMBL5321568, CTK8G3018, DTXSID30234634, HJORMJIFDVBMOB-GFCCVEGCSA-N, MolPort-003-983-800, HMS3267P21, HY-B0392, KS-000017MS, ZINC2000919, 2-Pyrrolidinone, 4-(3-(cyclopentyloxy)-4-methoxyphenyl)-, (4S)-, BDBM50042056, BS0165, s2127, AKOS024456541, CS-2478, DB03606, NCGC00381709-04, CJ-30872, SMR004702988, BCP0726000229, R0183, X5034, AB01274743-01, AB01274743_02, BRD-K65856711-001-01-0, (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one, UNII-K676NL63N7 component HJORMJIFDVBMOB-GFCCVEGCSA-N, (S)-(+)-4-[3-(Cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one

ID: 50
InChIKey: NBLBCGUCPBXKOV-UHFFFAOYSA-N
SMILES: CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)COC

biological descriptors:

CFTR relevance: Phosphodiesterase 1 inhibitor

Category:
Influence on CFTR function none
Order of interaction indirect
subcellular compartment several

chemical graph of compound 50



CID is 155806
synonyms found at PubChem are:
78033-08-6, 8-Methoxymethyl-IBMX, 8-methoxymethyl-3-isobutyl-1-methylxanthine, MMPX, 3-Isobutyl-8-(methoxymethyl)-1-methyl-1H-purine-2,6(3H,7H)-dione, 8-METHOXYMETHYL-1-METHYL-3-(2-METHYLPROPYL)XANTHINE, CHEMBL307639, IN1237, MI-methylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-, 8MM-IBMX, 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione, 3-isobutyl-8-methoxymethyl-1-methylxanthine, SR-01000075985, Tocris-0552, AC1Q4FLL, Lopac-M-2547, Lopac0_000764, BSPBio_001462, KBioGR_000182, KBioSS_000182, MLS002153423, SCHEMBL782824, AC1L4F09, SCHEMBL9927457, CHEBI:92940, CTK7B2646, KBio2_000182, KBio2_002750, KBio2_005318, KBio3_000363, KBio3_000364, DTXSID30228679, MolPort-003-848-632, Bio2_000182, Bio2_000662, HMS1361J04, HMS1791J04, HMS1989J04, HMS2230A04, HMS3262I10, HMS3266K14, HMS3373L09, HMS3402J04, Tox21_500764, 2228AC, ANW-54494, BDBM50059035, HSCI1_000291, MFCD00211081, ZINC14806781, AKOS016001307, AKOS024458560, CCG-204849, LP00764, 3,7-Dihydro-8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-1H-purine-2,6-dione, IDI1_033932, NCGC00015658-01, NCGC00015658-02, NCGC00015658-03, NCGC00015658-04, NCGC00015658-05, NCGC00015658-06, NCGC00015658-07, NCGC00015658-08, NCGC00024647-01, NCGC00024647-02, NCGC00024647-03, NCGC00024647-04, NCGC00024647-05, NCGC00261449-01, AJ-65376, CC-23404, SMR001230798, AX8000924, DB-056279, B6348, EU-0100764, FT-0641660, M 2547, A839315, C-16701, SR-01000075985-1, SR-01000075985-3, 8-Methoxymethyl-3-isobutyl-1-methylxanthine, >=98%, BRD-K53878242-001-02-4, BRD-K56077740-001-03-5, 8-Methoxymethyl-1-Methyl-1-3-(2-Methylpropyl)Xanthine, 3-Isobutyl-8-methoxymethyl-1-methyl-3,7-dihydro-purine-2,6-dione, 3-Isobutyl-8-methoxymethyl-1-methyl-3,9-dihydro-purine-2,6-dione

ID: 63
InChIKey: PZRHRDRVRGEVNW-UHFFFAOYSA-N
SMILES: Cc1c(cc(c(=O)[nH]1)C#N)c2ccncc2

biological descriptors:

CFTR relevance: Phosphodiesterase 3 inhibitor

Category:
Influence on CFTR function none
Order of interaction indirect
subcellular compartment several

chemical graph of compound 63



CID is 4197
synonyms found at PubChem are:
milrinone, 78415-72-2, Primacor, Corotrope, Corotrop, Milrinona, Milrinonum, Milrinonum [Latin], Milrinona [Spanish], Milrila, UNII-JU9YAX04C7, YM 018, Milrila (TN), Milrinone [USAN:BAN:INN], WIN 47203-2, CCRIS 3795, 1,6-Dihydro-2-methyl-6-oxo(3,4'-bipyridine)-5-carbonitrile, 2-methyl-6-oxo-1,6-dihydro-[3,4'-bipyridine]-5-carbonitrile, Win-47203, Win-47203-2, 3-Cyano-6-methyl-5-(4-pyridyl)-2-pyridone, 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile, EINECS 278-903-6, CHEMBL189, BRN 3546821, JU9YAX04C7, C12H9N3O, 2-methyl-6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile, CHEBI:50693, 1,6-Dihydro-2-methyl-6-oxo-(3,4'-bipyridine)-5-carbonitrile, PZRHRDRVRGEVNW-UHFFFAOYSA-N, 6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridine-3-carbonitrile, NCGC00015675-08, NCGC00164390-01, 1,6-Dihydro-2-methyl-6-oxo-3,4-bipyridine-5-carbonitrile, 111GE027, (3,4'-Bipyridine)-5-carbonitrile, 6-dihydro-2-methyl-6-oxo-, Primacor (TN), 1,2-DIHYDRO-6-METHYL-2-OXO-5-(4-PYRIDINYL)NICOTINONITRILE, CAS-78415-72-2, M1663, (3,4'-BIPYRIDINE)-5-CARBONITRILE, 1,6-DIHYDRO-2-METHYL-6-OXO-, DSSTox_CID_3324, M 4659, DSSTox_RID_76978, DSSTox_GSID_23324, 6-Methyl-5-(4-pyridyl)-2-pyridone-3-carbonitrile, PRIMACOR IN DEXTROSE 5% IN PLASTIC CONTAINER, W-104284, MILRINONE LACTATE IN DEXTROSE 5% IN PLASTIC CONTAINER, [3,4'-Bipyridine]-5-carbonitrile, 1,6-dihydro-2-methyl-6-oxo-, 1,6-Dihydro-2-methyl-6-oxo-[3,4'-bipyridine]-5-carbonitrile, 1,6-Dihydro-2-methyl-6-oxo-(3,4′-bipyridine)-5-carbonitrile, SMR000058475, SR-01000075524, Milrinone [USAN:USP:INN:BAN], Milrinone(Primacor), WIN 47203, Milrinone (Primacor), Tocris-1504, AC1L1HMP, AC1Q2EBX, Prestwick0_001065, Prestwick1_001065, Prestwick2_001065, Prestwick3_001065, Lopac-M-4659, D0Y9ZE, (non-labelled)Milrinone-d3, Milrinone (JAN/USP/INN), Lopac0_000737, SCHEMBL36947, BSPBio_001050, Milrinone (JAN/USAN/INN), MLS000028818, MLS001424052, MLS006011946, BIDD:GT0197, SPBio_002965, BPBio1_001156, GTPL5225, SCHEMBL8309385, DTXSID5023324, BDBM15296, CTK7C7151, KS-00000GSZ, AOB5617, BIM0128, MolPort-003-666-840, ZX-AFC000063, HMS1571E12, HMS2051L10, HMS2090J14, HMS2098E12, HMS2234A23, HMS3262C16, HMS3267P12, HMS3370H18, HMS3393L10, HMS3656G06, HMS3715E12, Pharmakon1600-01505489, BCP02956, ZINC9224016, Tox21_112113, Tox21_400069, Tox21_500737, ANW-42920, BG0378, CM0151, MFCD00133539, Milrinone, >=97% (TLC), powder, NSC760072, s2484, SBB055743, AKOS015836135, Tox21_112113_1, AC-4730, API0003394, BCP9000926, CCG-101020, CCG-204822, CS-1367, DB00235, KS-1440, LP00737, MCULE-8377851655, NC00270, NSC-760072, WIN-472032, NCGC00015675-01, NCGC00015675-02, NCGC00015675-03, NCGC00015675-04, NCGC00015675-05, NCGC00015675-06, NCGC00015675-07, NCGC00015675-09, NCGC00015675-11, NCGC00025189-01, NCGC00025189-02, NCGC00025189-03, NCGC00261422-01, AJ-59392, AK174563, AN-11687, BC208811, CC-30960, CPD000058475, EN002063, HY-14252, LS-44610, SAM001246611, SC-46003, SMR004703527, WIN 47,203-2, BCP0726000256, 1,6-Dihydro-2-methyl-6-oxo-(3,4&prime, AB0010910, AB1009542, AX8014448, AB00514027, EU-0100737, FT-0630859, C07224, D00417, AB00514027-02, AB00514027-03, AB00514027_04, AB00514027_05, AB00597139-08, 415M722, A839417, C-10984, I06-0259, SR-01000075524-1, SR-01000075524-3, SR-01000075524-4, SR-01000075524-6, BRD-K67080878-001-05-5, Z1522568219, 6-methyl-2-oxo-5-(4-pyridyl)-1H-pyridine-3-carbonitrile, 6-methyl-2-oxo-5-(4-pyridyl)hydropyridine-3-carbonitrile, 1,2-dihydro-6-methyl-2-oxo-5-(4 -pyridinyl)nicotinonitrile, 1,2-DIHYDRO-6-METHYL-2-OXO-5-(4-PYRIDINYL)-NICOTIN, Milrinone, United States Pharmacopeia (USP) Reference Standard, 6-methyl-2-oxidanylidene-5-pyridin-4-yl-1H-pyridine-3-carbonitrile, 2-Methyl-6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile (Milrinone)