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CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.
"M Piacentini" "L Maiuri" "VR Villella" "A Tosco" "V Raia" "G Kroemer"


Below you will find all the structures identified in the publication. Be warned that this does not imply any activity. n=4

ID: 7
InChIKey: PURKAOJPTOLRMP-UHFFFAOYSA-N
SMILES: CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C

biological descriptors:

CFTR relevance: CFTR stimulator

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

chemical graph of compound 7



CID is 16220172
synonyms found at PubChem are:
Ivacaftor, 873054-44-5, VX-770, Kalydeco, Ivacaftor (VX-770), N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide, VX 770, VX770, UNII-1Y740ILL1Z, Kalydeco (TN), CHEBI:66901, N-[2,4-Bis(tert-butyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-3-quinolinecarboxamide, 1Y740ILL1Z, 3-Quinolinecarboxamide, N-(2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl)-1,4-dihydro-4-oxo-, Ivacaftor [USAN:INN], ivacaftorum, 3-Quinolinecarboxamide, N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-, Ivacaftor D18, Tube715, Ivacaftor (USAN/INN), VX-770 - Ivacaftor, D0W7WC, MLS006011119, SCHEMBL351373, GTPL4342, QUI135, VX-770, Ivacaftor, Kalydeco, CHEMBL2010601, DTXSID00236281, EX-A441, QCR-155, MolPort-009-194-229, PURKAOJPTOLRMP-UHFFFAOYSA-N, BCPP000199, HMS3654E10, AOB31714, ABP000259, BDBM50032693, s1144, VX-770/VX770, ZINC52509463, AKOS015994762, AKOS032950001, BCP9000799, CS-0497, DB08820, EX-7211, LE-0002, KS-0000063W, NCGC00242480-01, 4CA-0661, AC-28324, AN-16981, BC660099, HY-13017, KB-81476, SC-95534, SMR004702900, AB0008116, AB2000007, FT-0696681, X7565, A25626, D09916, W-5681, AB01565806_02, VX770, VX 770, Ivacaftor, 873054-44-5, N-(2,4-ditert-butyl-5-hydroxy-phenyl)-4-oxo-1H-quinoline-3-carboxamide, N-(5-hydroxy-2,4-ditert-butyl-phenyl)-4-oxo-1H-quinoline-3-carboxamide, N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide, 1134822-00-6, 1174930-71-2, 1413431-05-6, Kalydeco|||N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-3-quinolinecarboxamide

ID: 3105
InChIKey: WMBWREPUVVBILR-UHFFFAOYSA-N
SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

chemical graph of compound 3105



CID is 1287
synonyms found at PubChem are:
TEA polyphenol, 84650-60-2, Gallocatechin gallate, CHEMBL311663, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, [5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate, 107965-88-8, epigallocatechol-3-gallate, (+)-epigallocatechin gallate, SCHEMBL161547, ChEMBL_134784, HMS3393K21, HMS3426I15, HMS3651I16, HMS3868K03, BCP28205, BBL033816, BDBM50093882, STL372995, AKOS025248011, CCG-269314, MCULE-9752626908, NCGC00095722-01, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate, AK165605, VS-12292, FT-0604392, FT-0686614, (?)-cis-3,3',4',5,5',7-Hexahydroxy-flavane-3-gallate, (?)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate, [5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate, 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate, 2-(3,4,5-Trihydroxyphenyl)-3-[(3,4,5-trihydroxybenzoyl)oxy]-3,4-dihydro-2H-1-benzopyran-5,7-diol, 3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chroman-3-yl ester

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: 73
InChIKey: UFULAYFCSOUIOV-UHFFFAOYSA-N
SMILES: C(CS)N

biological descriptors:

CFTR relevance: proteostasis regulator (targeting disabled autophagy and CK2 overactivation)

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

chemical graph of compound 73



CID is 6058
synonyms found at PubChem are:
CYSTEAMINE, 2-Aminoethanethiol, Mercaptamine, 60-23-1, Thioethanolamine, Becaptan, Mercamine, Cysteinamine, beta-Mercaptoethylamine, 2-Mercaptoethylamine, Cysteamin, Lambraten, Lambratene, beta-Aminoethanethiol, Cystagon, Riacon, Decarboxycysteine, Mercaptoethylamine, 2-Amino-1-ethanethiol, Cisteamina, 2-Aminoethyl mercaptan, beta-Aminoethylthiol, 2-Mercaptoethanamine, Ethanethiol, 2-amino-, Mercaptamin, (2-Mercaptoethyl)amine, MEA (mercaptan), Ethanethiolamine, beta-MEA, Aminoethyl mercaptan, Mercaptamina, Mercaptaminum, Cysteamide, Mecramine, Mercamin, Merkamin, Cisteamina [Italian], Cystaran, 2-AMINO-ETHANETHIOL, Mercaptaminum [INN-Latin], Mercaptamina [INN-Spanish], 1-Amino-2-mercaptoethylamine, 2-aminoethane-1-thiol, Cysteamine [USAN:BAN], L-1573, Cysteamine (USAN), WR 347, Cystavision, C2H7NS, UNII-5UX2SD1KE2, Cysteamine bitartate, NSC 647528, Cysteamine [USAN], Mercaptamine (INN), CCRIS 3083, HSDB 7353, .beta.-Mercaptoethylamine, EINECS 200-463-0, L 1573, 5UX2SD1KE2, CHEBI:17141, UFULAYFCSOUIOV-UHFFFAOYSA-N, cysteaminium, 2-Mercaptoethylamine, polymer-bound, Mercaptamine [INN], NSC647528, NCGC00015691-03, (Mercaptoethyl)ammonium toluene-p-sulphonate, C-9500, 60-23-1 (Parent), Cystagone, b-Aminoethylthiol, 2-aminoethanethio, b-Aminoethanethiol, mercapto ethylamine, b-Mercaptoethylamine, DHL, 2-amino-ethyl thiol, CASH, .beta.-MEA, Cysteamine, ~95%, Cysteamine, free base, .beta.-Aminoethylthiol, Spectrum_001755, .beta.-Aminoethanethiol, ACMC-1AVBC, SpecPlus_000654, AC1L1LPL, Lopac-M-6500, DSSTox_CID_2875, bmse000388, CHEMBL602, D0V0LB, AC1Q54NL, DSSTox_RID_76770, DSSTox_GSID_22875, KBioSS_002235, KSC490G2L, DivK1c_006750, 156-57-0 (hydrochloride), 641022_ALDRICH, BDBM7968, GTPL7440, 3037-04-5 (tosylate), DTXSID3022875, CTK3J0325, KBio1_001694, KBio2_002235, KBio2_004803, KBio2_007371, KS-00000WES, 42954-15-4 (hydrobromide), Cysteamine, >=98.0% (RT), MolPort-001-662-635, BCP15015, ZINC8034121, EINECS 221-235-7, Tox21_113092, 16904-32-8 (di-hydrochloride), ANW-33452, HY-77591A, STK315355, AKOS003793343, CCG-204834, CS-2799, DB00847, MCULE-1838427828, NE18622, NSC-647528, RP18367, RTR-031658, CAS-60-23-1, NCGC00015691-01, NCGC00015691-02, NCGC00015691-04, NCGC00162236-01, NCGC00162236-02, AN-41805, BP-13401, KB-20296, LS-65761, NCI60_002000, SC-18413, SBI-0050727.P003, 27761-19-9 (tartrate (1:1)), 93965-19-6 (maleate (1:1)), AB0020070, DB-053562, TR-031658, A0648, FT-0611243, V0810, C01678, D03634, AB00053754_09, AB00053754_10, 106791-EP2292597A1, 106791-EP2295407A1, 106791-EP2298736A1, 213515-EP2371809A1, F0001-1576, 2DFDA1F8-7010-4225-8280-AB1C4C43F546, 139720-70-0, 2-Mercaptoethylamine, polymer-bound, 70-90 mesh, extent of labeling: 0.6-1.1 mmol/g loading, 1 % cross-linked with divinylbenzene, 2-ammonioethanethiolate, STL455134