ID: 1
InChIKey: TZBJGXHYKVUXJN-UHFFFAOYSA-N SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
biological descriptors:
CFTR relevance: CFTR correctorCategory:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment several
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 inhibitorCategory:
Influence on CFTR function none
Order of interaction indirect
subcellular compartment several
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 inhibitorCategory:
Influence on CFTR function none
Order of interaction indirect
subcellular compartment several
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 inhibitorCategory:
Influence on CFTR function enhances CFTR function
Order of interaction indirect
subcellular compartment Apical membrane & subapical compartment
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 inhibitorCategory:
Influence on CFTR function none
Order of interaction indirect
subcellular compartment several
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 inhibitorCategory:
Influence on CFTR function none
Order of interaction indirect
subcellular compartment several
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 inhibitorCategory:
Influence on CFTR function none
Order of interaction indirect
subcellular compartment several
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 inhibitorCategory:
Influence on CFTR function none
Order of interaction indirect
subcellular compartment several
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 inhibitorCategory:
Influence on CFTR function none
Order of interaction indirect
subcellular compartment several
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 inhibitorCategory:
Influence on CFTR function none
Order of interaction indirect
subcellular compartment several
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)