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CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.
"JW Hanrahan" "D Zhang" "DY Thomas" "DE Williams" "R Robert" "GW Carlile" "RA Keyzers" "KA Teske" "HM Sampson" "CA Gray" "RG Linington" "L Yan" "RJ Andersen" "RM Centko" "J Liao" "SM Anjos"


Below you will find all the structures identified in the publication. Be warned that this does not imply any activity. n=6

ID: 3
InChIKey: FJNFVCAHHFNREI-UHFFFAOYSA-N
SMILES: CC(C1=NC2=CC=CC=C2C(=N1)OC3CCCCC3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)OC

biological descriptors:

CFTR relevance: CFTR corrector

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

chemical graph of compound 3



CID is 11957831
synonyms found at PubChem are:
815592-21-3, 4-(cyclohexyloxy)-2-(1-(4-[(4-methoxybenzene)sulfonyl]piperazin-1-yl)ethyl)quinazoline, CFcor-325, VRT-325, 4-(Cyclohexyloxy)-2-(1-(4-(4-methoxyphenylsulfonyl)piperazin-1-yl)ethyl)quinazoline, 4-(cyclohexyloxy)-2-(1-{4-[(4-methoxybenzene)sulfonyl]piperazin-1-yl}ethyl)quinazoline, ACMC-20p1e2, GTPL4340, SCHEMBL3822809, VRT325, CHEMBL1257047, CTK9A5799, DTXSID00474707, VRT 325, MolPort-006-415-015, KS-000000GF, AKOS030228615, 4-cyclohexyloxy-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline, KB-01359, KB-34900, A1-01884, 4-(Cyclohexyloxy)-2-(1-(4-((4-methoxyphenyl)sulfonyl)piperazin-1-yl)ethyl)quinazoline, 4-(cyclohexyloxy)-2-(1-{4-[(4-methoxyphenyl)sulfonyl]-1-piperazinyl}ethyl)quinazoline

ID: 2940
InChIKey: JNAHVYVRKWKWKQ-CYBMUJFWSA-N
SMILES: C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N

biological descriptors:

CFTR relevance: PARP inhibitor

Category:
Influence on CFTR function enhances CFTR function
Order of interaction indirect
subcellular compartment Nucleus (Transcription)

chemical graph of compound 2940



CID is 11960529
synonyms found at PubChem are:
Veliparib, 912444-00-9, ABT-888, ABT 888, Veliparib (ABT-888), ABT-888 (Veliparib), ABT888, UNII-01O4K0631N, 2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide, CHEBI:62880, 2-[(R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide, (R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo[d]imidazole-4-carboxamide, 01O4K0631N, 2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benimidazole-4-, Veliparib dihydrochloride, 2-((2r)-2-methyl-2-pyrrolidinyl)-1h-benzimidazole-7-carboxamide, (2r)-2-(7-Carbamoyl-1h-Benzimidazol-2-Yl)-2-Methylpyrrolidinium, (R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo[d]imidazole-7-carboxamide, 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide, ABT-888(Veliparib), NSC-737664, Veliparib [USAN:INN], 2-((2R)-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide, 2-[(2R)-2-methyl-2-pyrrolidinyl]-1H-benzimidazole-7-carboxamide, 78P, ABT-888 Veliparib, ABT888 (free base), D0Q7UD, A861695, benzimidazole carboxamide, 3a, MLS006010184, Veliparib (JAN/USAN/INN), SCHEMBL422318, CHEMBL506871, GTPL7417, QCR-33, BDBM27135, ABT-695, DTXSID90238456, EX-A001, MolPort-016-633-168, BDBM209932, AOB87114, EBD52357, 1H-Benzimidazole-7-carboxamide, 2-[(2R)-2-methyl-2-pyrrolidinyl]-, ABP000419, AN-034, BN0721, IN2264, NSC737664, s1004, ZINC84610155, AKOS015951440, AKOS017343746, API0024782, CS-0076, DB07232, EX-7209, RL05736, ABT-888(Veliparib)/MX-1,ABT888, NCGC00250404-01, AC-23330, AN-26402, AS-19397, BC623040, EN002695, HY-10129, KB-67929, SMR004701290, ABT-888 (Veliparib, NSC 737664), AB1010175, FT-0660949, X7540, A24888, D09692, W-5661, A-861695, J-505211, BRD-K87142802-001-02-7, Veliparib;ABT-888;ABT888;ABT 888;912444-00-9, 1H-Benzimidazole-4-carboxamide, 2-((2R)-2-methyl-2-pyrrolidinyl)-, 2-[(2R)-2-methylpyrrolidin-2-yl]-3H-1,3-benzodiazole-4-carboxamide, (R)-2-(2-Methylpyrrolidin-2-yl)-1H-benimidazole-4-carboxamide (VELIPARIB), ABT-888;2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benimidazole-4- carboxamide;(R)-2-(2-methylpyrrolidin-2-yl)-3H-benzo[d]imidazole-4-carboxamide

ID: 3014
InChIKey: SFCMPVWUVZLOFH-UHFFFAOYSA-N
SMILES: COC(=O)C1=C2C(=NC(=N1)N)CNC(=O)C3=C2C(=C(N3)Br)Br

biological descriptors:

CFTR relevance: CFTR Trafficking Corrector, PARP inhibitor

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

chemical graph of compound 3014



CID is 25168132
synonyms found at PubChem are:
SCHEMBL13042346, 1,2-Dibromo-4-oxo-8-amino-3,4,5,6-tetrahydro-3,5,7,9-tetraazabenzo[e]azulene-10-carboxylic acid methyl ester

ID: 3061
InChIKey: XQPNCZDPZRCEHB-UHFFFAOYSA-N
SMILES: CCOC(=O)C1=C2C(=NC(=N1)N)CNC(=O)C3=C2C(=C(N3)Br)Br

biological descriptors:

CFTR relevance: CFTR Trafficking Corrector, PARP inhibitor

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

chemical graph of compound 3061



CID is 25168133
synonyms found at PubChem are:
SCHEMBL13042344

ID: 697
InChIKey: GGCJGNBVVMDYKM-UHFFFAOYSA-N
SMILES: C1C2=NC(=NC=C2C3=C(C(=O)N1)NC(=C3Br)Br)N

biological descriptors:

CFTR relevance: CFTR corrector

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

chemical graph of compound 697



CID is 11440210
synonyms found at PubChem are:
Latonduine A, SCHEMBL13042347

ID: 3029
InChIKey: UYJZZVDLGDDTCL-UHFFFAOYSA-N
SMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)NC(=O)C3=CC=CC=C32

biological descriptors:

CFTR relevance: PARP inhibitor

Category:
Influence on CFTR function enhances CFTR function
Order of interaction indirect
subcellular compartment Nucleus (Transcription)

chemical graph of compound 3029



CID is 4858
synonyms found at PubChem are:
PJ34, 344458-19-1, pj-34, CHEMBL372303, UYJZZVDLGDDTCL-UHFFFAOYSA-N, N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, P34, 2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridin-2-yl)acetamide, Acetamide, N-(5,6-dihydro-6-oxo-2-phenanthridinyl)-2-(dimethylamino)-, PJ34(free base), 1xk9, D04WDX, SCHEMBL422317, AC1L1J45, ZINC8960, BDBM27497, CTK1B7701, Ibrutinib (PCI32765 pound(c), MolPort-035-395-737, HMS3651B06, BCP07990, 2662AH, HY-13688A, AKOS030229047, CS-1463, DB08348, NCGC00370866-10, AJ-08322, BC600341, DA-42692, AB0109995, FT-0722456, W-5671, BRD-K11853856-003-01-3, 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide, 2-(dimethylamino)-N-(5,6-dihydro-6-oxophenanthridin-2yl)acetamide, 2-Dimethylamino-N-(6-oxo-5,6-dihydro-phenanthridin-2-yl)-acetamide, N-(6-oxo-5,6-dihydro- phenanthridin-2-yl)-N,N-dimethylacetamide, N-(5,6-Dihydro-6-oxo-2-phenanthridinyl)-2-(dimethylamino)-acetamide