"Y Sohma" "WY Lin" "TC Hwang"

Below you will find all the structures identified in the publication. Be warned that this does not imply any activity. n=2

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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

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

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ID: 11
InChIKey: WBSMIPAMAXNXFS-UHFFFAOYSA-N
SMILES: C1=CC=C(C=C1)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

biological descriptors:

CFTR relevance: CFTR activator

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

CID is 4549
synonyms found at PubChem are:
NPPB, 5-Nitro-2-(3-phenylpropylamino)benzoic acid, 107254-86-4, UNII-3A35O9G3YZ, 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid, 3A35O9G3YZ, CHEBI:34457, HOE 144, HOE-144, Benzoic acid,5-nitro-2-[(3-phenylpropyl)amino]-, Benzoic acid, 5-nitro-2-((3-phenylpropyl)amino)-, IN1196, 5-NITRO-2-(3-PHENYLPROPYLAMINO)-BENZOIC ACID, 5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB], 5-Nitro-2-(3-phenylpropylamino)benzoic Acid (NPPB), SR-01000075336, Spectrum_001814, Tocris-0593, ACMC-20c9kv, AC1L1IEV, Spectrum2_001477, Spectrum3_001518, Spectrum4_000338, Spectrum5_001244, Lopac-N-4779, (NPPB), D08DQL, D0HW9P, UPCMLD-DP143, CBiol_001838, Lopac0_000857, BSPBio_001423, BSPBio_003195, KBioGR_000715, KBioSS_002311, MLS000859983, DivK1c_000619, SCHEMBL159244, SPBio_001433, AC1Q20U0, GTPL4270, CHEMBL1256759, UPCMLD-DP143:001, UPCMLD-DP143:002, CTK4A5098, HMS501O21, KBio1_000619, KBio2_002309, KBio2_004877, KBio2_007445, KBio3_002695, DTXSID90147978, MolPort-003-959-000, NINDS_000619, WBSMIPAMAXNXFS-UHFFFAOYSA-N, Bio1_000124, Bio1_000613, Bio1_001102, HMS1791H05, HMS1989H05, HMS2235P03, HMS3262L15, HMS3266O16, HMS3373B17, HMS3402H05, ZINC3873822, Tox21_500857, BN0393, CCG-39187, MFCD00153851, AKOS024458574, CS-8179, LP00857, IDI1_000619, NCGC00015740-01, NCGC00015740-02, NCGC00015740-03, NCGC00015740-04, NCGC00015740-05, NCGC00015740-06, NCGC00015740-07, NCGC00015740-08, NCGC00015740-09, NCGC00015740-10, NCGC00024671-01, NCGC00024671-02, NCGC00024671-03, NCGC00024671-04, NCGC00024671-05, NCGC00024671-06, NCGC00024671-07, NCGC00024671-08, NCGC00261542-01, SMR000326842, Brit J Pharmacol 117: 175 (1996), HY-101012, LS-186884, LS-187538, RT-010388, 2-PHENPROPYLAMINO-5-NITROBENZOIC ACID, 5 nitro 2 (3 phenylpropylamino)benzoic acid, B6367, EU-0100857, X6841, 5-nitro-2-(3-phenylpropylamino) benzoic acid, 5-Nitro-2-(3'-phenylpropyl-amino)benzoic acid, 5-Nitro-2-(3-phenyl-propylamino)-benzoic acid, C13705, N 4779, J-001745, SR-01000075336-1, SR-01000075336-3, 5-Nitro-2-(3-phenylpropylamino)benzoic acid, >=98%, BRD-K89272762-001-02-8, BRD-K89272762-001-04-4, BRD-K89272762-001-07-7