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CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.
"DT Infield" "N Khazanov" "BR Imhoff" "H Senderowitz" "BB Stauffer" "NA McCarty" "G Cui"


Below you will find all the structures identified in the publication. Be warned that this does not imply any activity. n=8

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: 594
InChIKey: FLGYCSPPJQJZCH-LCYFTJDESA-N
SMILES: C1=CC=C2C=C(C=CC2=C1)NCC(=O)NN/C=C\3/C=C(C(=C(C3=O)Br)O)Br

biological descriptors:

CFTR relevance: CFTR inhibitor

Category:
Influence on CFTR function inhibits CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 594



CID is 11260414
synonyms found at PubChem are:
GlyH-101, 328541-79-3, CFTR Inhibitor II, (Naphthalen-2-ylamino)-acetic acid (3,5-dibromo-2,4,-dihydroxy-benzylidene)-hydrazide, GlyH - 101, MolPort-006-416-077, N-(2-naphthalenyl)-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene]glycine hydrazide, N-2-Naphthalenyl-glycine 2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene]hydrazide, 3698AH, AKOS025148694, ZINC100478919, CS-2098, BC600597, HY-18336, KB-02594, KB-52296, (Naphthalen-2-ylamino)-acetic acid (3,5-dibromo-2,4-dihydroxy-benzylidene)-hydrazide, (Naphthalen-2-ylamino)acetic acid (3,5-dibromo-2,4,-dihydroxybenzylidene)hydrazide

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: 306
InChIKey: CABYWQOCCVFNHX-UHFFFAOYSA-N
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=NC(=C4C=C(C(=O)C(=C4)Br)Br)NO3

biological descriptors:

CFTR relevance: CFTR inhibitor/ potentiator

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

chemical graph of compound 306



CID is 44241539
synonyms found at PubChem are:
iOWH-032, 1191252-49-9, IOWH032, 3-(3,5-Dibromo-4-hydroxyphenyl)-N-(4-phenoxybenzyl)-1,2,4-oxadiazole-5-carboxamide, UNII-8Y3GDT6YWV, 8Y3GDT6YWV, IOWH 032, C22H15Br2N3O4, SCHEMBL1114552, KS-00000SAW, EX-A327, DSFNLJXHXBIKDS-UHFFFAOYSA-N, MolPort-035-395-840, HMS3653C14, AOB87123, BCP08439, 2156AH, s7329, ZINC68151296, AKOS024259261, AKOS026750509, ZINC145673230, CD-1778, CS-1744, DB12959, NCGC00386303-01, 4CA-0651, AK151417, BC600405, HY-18337, SC-94667, AX8288033, KB-308544, FT-0732295, 3-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-N-(4-phenoxybenzyl)-2,3-dihydro-1,2,4-oxadiazole-5-carboxamide, 3-[3,5-Dibromo-4-(4-methoxybenzyloxy)phenyl]-N-(4-phenoxybenzyl)-1,2,4-oxadiazole-5-carboxamide

ID: 2957
InChIKey: KXZVPHGDSJNZRR-IFRROFPPSA-N
SMILES: CC1=CC=C(NCC(N/N=C/C2=C(O)C(Br)=C(O)C(Br)=C2)=O)C=C1

biological descriptors:

CFTR relevance: CFTR inhibitor/ potentiator

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

chemical graph of compound 2957




ID: 2971
InChIKey: MVMMUALTIFMQMK-IFRROFPPSA-N
SMILES: CC1=CC=CC(NCC(N/N=C/C2=C(O)C(Br)=C(O)C(Br)=C2)=O)=C1

biological descriptors:

CFTR relevance: CFTR inhibitor/ potentiator

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

chemical graph of compound 2971




ID: 596
InChIKey: FLGYCSPPJQJZCH-UKTHLTGXSA-N
SMILES: C1=CC=C2C=C(C=CC2=C1)NCC(=O)NN/C=C/3\C=C(C(=C(C3=O)Br)O)Br

biological descriptors:

CFTR relevance: CFTR inhibitor

Category:
Influence on CFTR function inhibits CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 596



CID is 16760366
synonyms found at PubChem are:
GlyH-101, GlyH 101, CFTR Inhibitor II, GlyH-101, CHEMBL1221576, 328541-79-3, N-(2-Naphthalenyl)-((3,5-dibromo-2,4-dihydroxyphenyl)methylene)glycine hydrazide, SCHEMBL12648530, BDBM50324733, AKOS032947331, ZINC100478920, S8094, EC-000.1907, J-018908, N''-(3,5-dibromo-2,4-dihydroxybenzylidene)-2-(naphthalen-2-ylamino)acetohydrazide, N'-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-2-[(naphthalen-2-yl)amino]acetohydrazide, N-2-Naphthalenyl-2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene]glycine hydrazide

ID: 595
InChIKey: FLGYCSPPJQJZCH-UHFFFAOYSA-N
SMILES: C1=CC=C2C=C(C=CC2=C1)NCC(=O)NNC=C3C=C(C(=C(C3=O)Br)O)Br

biological descriptors:

CFTR relevance: CFTR inhibitor

Category:
Influence on CFTR function inhibits CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 595



CID is 53397780
synonyms found at PubChem are:
GlyH-101, CTK8E9894, AGN-PC-005HH0, 328541-79-3, CFTR Inhibitor II, GlyH-101, CFTR Inhibitor II, D0S1FV, GTPL4202, N-2-Naphthalenyl-glycine 2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene]hydrazide, AOB87126, BCP10956, KS-00001DB4, ZINC22115071, AKOS026750493, N'-[(3,5-dibromo-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-(naphthalen-2-ylamino)acetohydrazide