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CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.

Phuan PW et. al. 2011 (paper)
Cyanoquinolines with independent corrector and potentiator activities restore ΔPhe508-cystic fibrosis transmembrane conductance regulator chloride channel function in cystic fibrosis.
Molecular pharmacology, page 683-93, volume 80, issue 4, year 2011
"GL Lukacs" "AS Verkman" "B Yang" "AB Wood" "MJ Kurth" "PW Phuan" "JM Knapp"
DOI: 10.1124/mol.111.073056
PMID: 21730204


Reference Into Function: Here, screening of ∼110,000 small molecules not tested previously revealed a cyanoquinoline class of compounds with independent corrector and potentiator activities (termed CoPo).



Below you will find all the structures identified in the publication. Be warned that this does not imply any activity. n=12
ID: 195
InChIKey: AYYIGRQBAFQJNP-UHFFFAOYSA-N
SMILES: CC1=CC2=C(C=C1)N=C(C(=C2)C#N)NCCNC(=O)C3=CC(=C(C=C3)OC)OC

biological descriptors:

CFTR relevance: CFTR Corrector and 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 195


CID is 3217032 the link to PubChem record is https://pubchem.ncbi.nlm.nih.gov/compound/3217032

CID is 3217032
synonyms found at PubChem are:
ASN 06146861, 606105-54-8, N-[2-(3-Cyano-6-methyl-quinolin-2-ylamino)-ethyl]-3,4-dimethoxy-benzamide, AC1MLAS4, MLS001212847, CHEMBL1403454, SCHEMBL14235628, CTK5B1874, DTXSID50390443, HMS2838E12, ZINC19221181, AKOS000765357, SMR000503709, KB-301135, SR-01000341403, SR-01000341403-1, N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]-3,4-dimeth, N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]-3,4-dimethoxybenzamide, N-{2-[(3-Cyano-6-methyl-2-quinolinyl)amino]ethyl}-3,4-dimethoxybenzamide, BENZAMIDE, N-[2-[(3-CYANO-6-METHYL-2-QUINOLINYL)AMINO]ETHYL]-3,4-DIMETHOXY-
ID: 2185
InChIKey: TZGJSWWPNARXQC-UHFFFAOYSA-N
SMILES: CC1=CC(=C2C=C(C(=NC2=C1)NCCNC(=O)C3=CC(=CC=C3)OC)C#N)C

biological descriptors:

CFTR relevance: CFTR Corrector and 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 2185


CID is 3224090 the link to PubChem record is https://pubchem.ncbi.nlm.nih.gov/compound/3224090

CID is 3224090
synonyms found at PubChem are:
ASN 06744166, 606101-83-1, N-(2-((3-Cyano-5,7-dimethylquinolin-2-yl)amino)ethyl)-3-methoxybenzamide, N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3-methoxybenzamide, AC1MLOXC, CoPo 22, MLS003674353, CHEMBL2018574, SCHEMBL14125564, CTK5B1828, DTXSID70390480, MolPort-000-101-486, TZGJSWWPNARXQC-UHFFFAOYSA-N, HMS1705K09, ZINC19124383, AKOS000688408, NCGC00386637-01, SMR002353823, KB-301130, N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3-meth, N-[2-(3-Cyano-5,7-dimethyl-quinolin-2-ylamino)-ethyl]-3-methoxy-benzamide, N-{2-[(3-Cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl}-3-methoxybenzamide, BENZAMIDE, N-[2-[(3-CYANO-5,7-DIMETHYL-2-QUINOLINYL)AMINO]ETHYL]-3-METHOXY-
ID: 2946
InChIKey: KBGSVTREQRCYHG-UHFFFAOYSA-N
SMILES: C2(=CC=C1C=C(C(=NC1=C2)N3CCN(CCC3)C(C4=CC=CS4)=O)C#N)C.CC

biological descriptors:

CFTR relevance: CFTR 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 2946



ID: 3062
InChIKey: YAZWGQPBZYRJOI-UHFFFAOYSA-N
SMILES: C2=C(C=C1C=C(C(=NC1=C2)N3CCN(CC3)C(C4=C(C=CC=C4)Cl)=O)C#N)OC.CC

biological descriptors:

CFTR relevance: CFTR 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 3062



ID: 544
InChIKey: DZZGIXHAFVXSKV-UHFFFAOYSA-N
SMILES: CC1=C(C=CC(=C1C)S(=O)(=O)N2C=CN=C2C)OC

biological descriptors:

CFTR relevance: CFTR Corrector and 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 544


CID is 1094932 the link to PubChem record is https://pubchem.ncbi.nlm.nih.gov/compound/1094932

CID is 1094932
synonyms found at PubChem are:
801224-90-8, BAS 09620936, F1696-0184, 1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylimidazole, 1-((4-methoxy-2,3-dimethylphenyl)sulfonyl)-2-methyl-1H-imidazole, 1-(4-Methoxy-2,3-dimethyl-benzenesulfonyl)-2-methyl-1H-imidazole, AC1LM1YZ, MLS001202930, CHEMBL1360496, DZZGIXHAFVXSKV-UHFFFAOYSA-N, MolPort-002-015-475, HMS2833P13, ZINC816467, AKOS002286101, MCULE-7772630708, SMR000524602, ST50287774, AP-263/42610970, SR-01000367214, SR-01000367214-1, Z57705542, 1-[(4-methoxy-2,3-dimethylphenyl)sulfonyl]-2-methylimidazole, 1-(4-methoxy-2,3-dimethylbenzenesulfonyl)-2-methyl-1H-imidazole, 2,3-dimethyl-4-[(2-methyl-1H-imidazol-1-yl)sulfonyl]phenyl methyl ether
ID: 3069
InChIKey: ZIEPEWXOOMYMCQ-UHFFFAOYSA-N
SMILES: C2=CC=C1C=C(C(=NC1=C2C)NCCNC(NC3=CC=CC=C3OCC)=S)C#N.CC

biological descriptors:

CFTR relevance: CFTR 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 3069



ID: 1131
InChIKey: JYNZQZIFQZJCBW-UHFFFAOYSA-N
SMILES: CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=NN2C3=CC4=C(C=C3)OCO4

biological descriptors:

CFTR relevance: CFTR Corrector and 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 1131


CID is 1175670 the link to PubChem record is https://pubchem.ncbi.nlm.nih.gov/compound/1175670

CID is 1175670
synonyms found at PubChem are:
ASN 04455937, AC1LM9VO, Oprea1_826725, ZINC932399, AKOS000690345, 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
ID: 2449
InChIKey: WEYXYSUHILNIFY-UHFFFAOYSA-N
SMILES: CC1=CC(=C2C=C(C(=NC2=C1)NCCNC(=O)C3=CC=CS3)C#N)C

biological descriptors:

CFTR relevance: CFTR Corrector and 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 2449


CID is 3221675 the link to PubChem record is https://pubchem.ncbi.nlm.nih.gov/compound/3221675

CID is 3221675
synonyms found at PubChem are:
ASN 06539861, AC1MLL8L, SCHEMBL14235634, AKOS000680306, N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]thiophene-2-carboxamide
ID: 2977
InChIKey: NOGRVEQYQUCZIW-UHFFFAOYSA-N
SMILES: C2=C(C=C1C=C(C(=NC1=C2)N3CCN(CC3)C(C4=CC=CC=C4F)=O)C#N)OC.CC

biological descriptors:

CFTR relevance: CFTR Corrector and 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 2977



ID: 1829
InChIKey: QIWICSQKMCMGIS-UHFFFAOYSA-N
SMILES: CC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

biological descriptors:

CFTR relevance: CFTR Corrector and 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 1829


CID is 3214072 the link to PubChem record is https://pubchem.ncbi.nlm.nih.gov/compound/3214072

CID is 3214072
synonyms found at PubChem are:
ASN 05920139, AC1ML3YD, Oprea1_188386, SCHEMBL14235626, AKOS000697577, 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoline-3-carbonitrile
ID: 2755
InChIKey: YUTIFCZVCWLLRH-UHFFFAOYSA-N
SMILES: CC1=CC=CC2=C1N=C(C(=C2)C#N)NCCNC(=O)C3=CC(=C(C=C3)OC)OC

biological descriptors:

CFTR relevance: CFTR Corrector and 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 2755


CID is 3217019 the link to PubChem record is https://pubchem.ncbi.nlm.nih.gov/compound/3217019

CID is 3217019
synonyms found at PubChem are:
606105-18-4, N-[2-(3-Cyano-8-methyl-quinolin-2-ylamino)-ethyl]-3,4-dimethoxy-benzamide, N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-3,4-dimethoxybenzamide, N-{2-[(3-Cyano-8-methylquinolin-2-yl)amino]ethyl}-3,4-dimethoxybenzamide, AC1MLAR1, MLS001212849, CHEMBL1583913, SCHEMBL14235623, CTK5B1861, DTXSID80390436, HMS1684M07, HMS2838E04, ZINC4881259, AKOS000765246, MCULE-9320928985, ASN 06146799, SMR000503707, KB-301142, SR-01000341399, SR-01000341399-1, N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-3,4-dimeth, N-{2-[(3-Cyano-8-methyl-2-quinolinyl)amino]ethyl}-3,4-dimethoxybenzamide, BENZAMIDE, N-[2-[(3-CYANO-8-METHYL-2-QUINOLINYL)AMINO]ETHYL]-3,4-DIMETHOXY-