"SB Hicks"
"BT Conger"
"EJ Sorscher"
"S Zhang"
"BA Woodworth"
"D Skinner"
"SM Rowe"
Below you will find all the structures identified in the publication. Be warned that this does not imply any activity.
n=6
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
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: 19
InChIKey: RFDOKDAIYRJYJJ-UHFFFAOYSA-N
SMILES: CC1=CC(=C2C=C(NN2)C3=CC=CC=C3)C(=O)C=C1
biological descriptors:
CFTR relevance: CFTR modulators
Category:
Influence on CFTR function enhances CFTR function
Order of interaction binds to CFTR
subcellular compartment Apical membrane & subapical compartment
CID is
6742696
synonyms found at PubChem are:
VRT-532, VRT532, VRT 532, 4-Methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol, Cambridge id 5478102, AC1OA052, GTPL4341, CTK8I5138, ZINC4576484, 4-methyl-6-(5-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
ID: 2246
InChIKey: UPQIJUPZPPSCEM-UHFFFAOYSA-N
SMILES: C1=CC=C(C=C1)COC2=CC=CC=C2C3=NOC(=C3)CCl
biological descriptors:
CFTR relevance: CFTR modulators
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
17750929
synonyms found at PubChem are:
601519-76-0, 3-(2-Benzyloxy-phenyl)-5-chloromethyl-isoxazole, UCCF-152, 3-(2-Benzyloxyphenyl)-5-chloromethylisoxazole, CHEMBL315425, SCHEMBL4069467, CTK5B1068, DTXSID00590779, ZINC22115080, AKOS030539482, KB-26486, EC-000.1916, 3-[2-(benzyloxy)phenyl]-5-(chloromethyl)isoxazole, 3-[2-(Benzyloxy)phenyl]-5-(chloromethyl)-1,2-oxazole, 5-(chloromethyl)-3-(2-phenylmethoxyphenyl)-1,2-oxazole
ID: 6
InChIKey: OHCQJHSOBUTRHG-KGGHGJDLSA-N
SMILES: CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O
biological descriptors:
CFTR relevance: CFTR activator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
47936
synonyms found at PubChem are:
forskolin, Colforsin, 66575-29-9, Coleonol, colforsina, colforsine, colforsinum, Boforsin, Colforsine [French], Colforsinum [Latin], Colforsina [Spanish], Coleonolk, Colforsin [USAN:INN], UNII-1F7A44V6OU, 7beta-Acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one, EINECS 266-410-9, HL 362, NSC 357088, NSC 375489, Forskolin, Coleus forskohlii, CHEMBL52606, 1F7A44V6OU, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate, L 75 1362B, CHEBI:42471, HL-362, NSC375489, 64657-11-0, NCGC00024996-02, L-751362B, 7-beta-Acetoxy-8,13-epoxy-1-alpha,6-beta,9-alpha-trihydroxylabd-14-en-11-one, DSSTox_CID_20484, DSSTox_RID_79500, DSSTox_GSID_40484, Forsklin, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-Dodecahydro-5,6,10,10b-tetrahydroxy-3,4a,7,7,10a-pentamethyl-3-vinyl-1H-naphtho(2,1-b)pyran-1-one 5-acetate, 66428-89-5, C22H34O7, ForsLean, 7beta-Acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxy-labd-14-en-11-one, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate, 1H-Naphtho(2,1-b)pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R-(3alpha,4abeta,5beta,6beta,6aalpha,10alpha,10abeta,10balpha))-, 1H-Naphtho(2,1-b)pyran-1-one, dodecahydro-5-(acetyloxy)-3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-alpha))-, 1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-, FOK, SMR000471881, CAS-66575-29-9, Ocufors, Timsaponin-C, Colforsin (USAN/INN), D0Y7VM, forskolin/ rolipram mixture, MolMap_000021, AC1L2J1R, AC1Q1L8K, SCHEMBL4928, 1H-Naphtho(2,1-b)pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, cid_47936, MLS001066384, MLS001333255, MLS001333256, MLS002172462, MLS002695942, Forskolin, analytical standard, Forskohlii Root Extract (ForsLean)(20% forskohlin), REGID_for_CID_47936, GTPL5190, DTXSID8040484, BCBcMAP01_000132, OHCQJHSOBUTRHG-KGGHGJDLSA-, AOB6380, BIF1031, MolPort-002-493-717, OHCQJHSOBUTRHG-KGGHGJDLSA-N, ZX-AFC000211, Bio1_000443, Bio1_000932, Bio1_001421, HMS2235C17, HMS3267I16, ZINC3977779, Tox21_110940, Tox21_302399, BDBM50010261, MFCD00082317, s2449, AKOS024456384, Tox21_110940_1, ACN-035218, AM81249, CS-1454, DB02587, LMPR0104030004, PXT0000105, SMP1_000128, NCGC00024996-03, NCGC00024996-04, NCGC00024996-05, NCGC00024996-06, NCGC00177971-03, NCGC00255526-01, 5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho(2,1-b)pyran-1-one, AS-17443, CC-28833, HY-15371, LS-95557, SC-47275, F0855, FT-0626543, V0151, Y0448, 7088-EP2280000A1, 7088-EP2284169A1, 7088-EP2287147A2, 7088-EP2287161A1, 7088-EP2287162A1, 7088-EP2287165A2, 7088-EP2287166A2, 7088-EP2292620A2, 7088-EP2295550A2, 7088-EP2301931A1, 7088-EP2301937A1, 7088-EP2308562A2, 7088-EP2311806A2, 7088-EP2371811A2, C09076, D03584, MLS-0318096.0001, S-7769, C-21901, SR-01000597378, Forskolin, For use in molecular biology applications, Q-200888, SR-01000597378-1, BRD-K09602097-001-04-5, Forskolin, from Coleus forskohlii, >=98% (HPLC), powder, Forskolin, United States Pharmacopeia (USP) Reference Standard, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-dodecahydro-1H-naphtho[2,1-b]pyran-5-yl acetate, [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate, [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate, [3R-(3?,4a?,5?,6?,6a?,10?,10a?,10b?)]-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one, [3R-(3a,4ab,5b,6b,6aa,10a,10ab,10ba)]-5-(Acetyloxy)-3-e thenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one, 1H-Naphtho[2,1-b]pyran-1-one,5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-,(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-, 72569-68-7, InChI=1/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
ID: 42
InChIKey: JIMHYXZZCWVCMI-RIYZIHGNSA-N
SMILES: C1=CC(=CC(=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)C(=O)O)/SC2=S)C(F)(F)F
biological descriptors:
CFTR relevance: CFTR inhibitor
Category:
Influence on CFTR function inhibits CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
1554210
synonyms found at PubChem are:
CFTR Inhibitor 172, C18H10F3NO3S2, 307510-92-5, CFTRinh 172, CFTR(inh)-172, 4-[(E)-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acid, CFTRinh-172, CFTRinh - 172, AC1LT95D, CFTR-172, SCHEMBL1881897, CHEMBL1554655, 5-[(4-Carboxyphenyl)methylene]-2-thioxo-3-[(3-trifluoromethyl)phenyl-4-thiazolidinone, 5-[(4-carboxyphenyl)methylene]-2-thioxo-3-[(3-trifluoromethyl)phenyl]-4-thiazolidinone, MolPort-008-130-993, MolPort-028-751-092, 4-[4-oxo-2-thioxo-3-(3-trifluoromethyl-phenyl)-thiazolidin-(5z)-ylidenemethyl]-benzoic acid, 4-[4-OXO-2-THIOXO-3-(3-TRIFLUOROMETHYL-PHENYL)-THIAZOLIDIN-5-YLIDENEMETHYL]-BENZOIC ACID, 2313AH, s7139, ZINC13829351, AKOS003140113, NCGC00165765-01, KB-41399, BB0220685, BB 0220685, CFTR(inh)-172, >=98% (HPLC), powder, 4-[[4-Oxo-2-thioxo-3-[3-trifluoromethyl)phenyl]-5-thiazolidinylidene]methyl]benzoic acid, 4-{[(5E)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl}benzoic acid, benzoic acid, 4-[[4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-5-thiazolidinylidene]methyl]-
ID: 43
InChIKey: JIMHYXZZCWVCMI-ZSOIEALJSA-N
SMILES: C1=CC(=CC(=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/SC2=S)C(F)(F)F
biological descriptors:
CFTR relevance: CFTR inhibitor
Category:
Influence on CFTR function inhibits CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
1554208
synonyms found at PubChem are:
CFTRinh-172, CFTR(inh)-172, CFTR Inhibitor-172, 307510-92-5, CHEMBL461939, 3-[(3-Trifluoromethyl)phenyl]-5-[(4-carboxyphenyl)methylene]-2-thioxo-4-thiazolidinone, CFTRinh 172, 4-[4-oxo-2-thioxo-3-(3-trifluoromethyl-phenyl)-thiazolidin-(5z)-ylidenemethyl]-benzoic acid, CFinh-172, CFTR Inh-172, AC1LT95A, AOB6719, 5-[(4-Carboxyphenyl)methylene]-2-thioxo-3-[(3-trifluoromethyl)phenyl-4-thiazolidinone, JIMHYXZZCWVCMI-ZSOIEALJSA-N, MolPort-000-501-417, ZINC966859, BDBM50244767, MFCD06411408, STL032754, AKOS000365470, CS-3185, BAS 00786641, HY-16671, BIM-0044592.P001, ST50148666, EC-000.1908, Z-2135, J-018109, 4-((4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-5-ylidene)methyl)benzoic acid, 4-[[4-Oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-5-thiazolidinylidene]methyl]benzoic acid, 4-[4-Oxo-2-thioxo-3-(3-trifluoromethyl-phenyl)-thiazolidin-5Z)-ylidenemethyl]-benzoic acid, (Z)-4-((4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-5-ylidene)methyl)benzoic acid, 4-({4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}met hyl)benzoic acid, 4-[(Z)-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acid, 4-[(Z)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid, 4-{[(5Z)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
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