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CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.
"NA McCarty" "BB Stauffer" "BR Imhoff" "EJ Sorscher" "JS Hong" "G Cui" "A Rab"


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: 20
InChIKey: UFSKUSARDNFIRC-UHFFFAOYSA-N
SMILES: CC1=C(N=C(C=C1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=CC(=CC=C5)C(=O)O

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction binds to CFTR
subcellular compartment ER & Golgi (Translation, quality control, trafficking, PTM)

chemical graph of compound 20



CID is 16678941
synonyms found at PubChem are:
936727-05-8, Lumacaftor, VX-809, VX 809, VX809, VRT-826809, 3-(6-(1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid, UNII-EGP8L81APK, VRT 826809, EGP8L81APK, 3-(6-{[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino}-3-methyl-pyridin-2-yl)-benzoicacid, 3-(6-{[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino}-3-methyl-pyridin-2-yl)-benzoic acid, 3-(6-[[1-(2,2-DIFLUORO-BENZO[1,3]DIOXOL-5-YL)-CYCLOPROPANECARBONYL]-AMINO]-3-METHYL-PYRIDIN-2-YL)-BENZOIC ACID, 3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid, 3-(6-{[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino}-3-methyl-pyridin-2-yl)-be, 3-(6-{[1-(2,2-Difluorobenzo[1,3]dioxol-5-yl)cyclopropanecarbonyl]-amino}-3-methyl-pyridin-2-yl)benzoic acid, 3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]benzoic acid, Lumacaftor [USAN:INN], Lumacaftor (USAN), PubChem22450, MLS006011120, SCHEMBL377028, Lumacaftor(vx-809 vx809), GTPL7481, CHEMBL2103870, CHEBI:90951, CTK8B5597, AOB2051, DTXSID30239523, EX-A178, C24H18F2N2O5, MolPort-009-198-874, UFSKUSARDNFIRC-UHFFFAOYSA-N, HMS3655E05, BCP02305, ABP000707, ANW-49250, s1565, VX-809/VX809, ZINC64033452, AKOS015920205, API0007686, CS-0479, DB09280, PB19466, QC-7245, NCGC00346550-01, NCGC00346550-05, 3-(6-(1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzoic acid, 4CA-0760, AC-23172, AK-36922, AN-16986, AS-31756, BC660192, Benzoic acid, 3-(6-(((1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl)carbonyl)amino)-3-methyl-2-pyridinyl)-, BR-36922, EN002684, HY-13262, KB-81477, SC-95543, SMR004702901, AB0008169, AJ-114588, AX8160252, TC-137995, FT-0757817, ST24028315, W9631, A25628, D10134, S-5955, J-690399, VX809, VX 809, 936727-05-8, 1220975-12-1, 3-(6-([1-(2,2-DIFLUORO-2H-1,3-BENZODIOXOL-5-YL)CYCLOPROPANE]AMIDO)-3-METHYLPYRIDIN-2-YL)BENZOIC ACID, 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl) cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid, 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzoic acid, 3-(6-{[1-(2,2-Difluorobenzo[1,3]dioxol-5-yl)cyclopropanecarbonyl]amino}-3-methyl-pyridin-2-yl)benzoi, 3-(6-{[1-(2,2-Difluorobenzo[1,3]dioxol-5-yl)cyclopropanecarbonyl]amino}-3-methyl-pyridin-2-yl)benzoic acid, 3-[6-[[[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid VX 809 Lumacaftor, 3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridyl]benzoic acid, 3-{6-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropaneamido]-3-methylpyridin-2-yl}benzoic acid, 3-{6-[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropaneamido]-3-methylpyridin-2-yl}benzoic acid

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

chemical graph of compound 11



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

ID: 3092
InChIKey: MJUVRTYWUMPBTR-UHFFFAOYSA-N
SMILES: CC(C)(CO)C1=CC2=CC(=C(C=C2N1CC(CO)O)F)NC(=O)C3(CC3)C4=CC5=C(C=C4)OC(O5)(F)F

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 3092



CID is 46199801
synonyms found at PubChem are:
Tezacaftor (Racemate), SCHEMBL322363, HMS3652D20, HMS3748O05, AKOS026750399, NCGC00389346-01, 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2,3-dihydroxypropyl)-6-fluoro-2-(1-hydroxy-2-Methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxaMide, 1226709-85-8, DA-47741, CS-0009162, FT-0772351, 1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)-N-[1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)INDOL-5-YL]CYCLOPROPANE-1-CARBOXAMIDE