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CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.
"D Waller" "JW Hanrahan" "R Robert" "HM Sampson" "F Ciciriello" "F Dantzer" "P Lesimple" "J Liao" "H Balghi" "DL Zhang" "DY Thomas" "R Phillipe" "SM Anjos" "GW Carlile" "J Goepp" "P Ferraro"


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: 2906
InChIKey: DXWHZJXKTHGHQF-UHFFFAOYSA-N
SMILES: CCCCNC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCCC

biological descriptors:

CFTR relevance: Weak PARP-1 inhibitor

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

chemical graph of compound 2906



CID is 87935
synonyms found at PubChem are:
Solvent Yellow 43, 19125-99-6, MLS000780025, 2-Butyl-6-(butylamino)-1H-benz(de)isoquinoline-1,3(2H)-dione, SMR000420208, 12226-96-9, 2-Butyl-6-butylamino-benzo[de]isoquinoline-1,3-dione, 2-butyl-6-(butylamino)benzo[de]isoquinoline-1,3-dione, DXWHZJXKTHGHQF-UHFFFAOYSA-N, 1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-butyl-6-(butylamino)-, 1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-butyl-6-(butylamino)-, EINECS 242-828-7, 4-Butylamino-N-butyl-1,8-naphthalimide, 4-(Butylamino)-N-butyl-1,8-naphthalimide, AC1L3EPE, AC1Q6JKW, C.I.Solvent Yellow 43, cid_87935, SCHEMBL372370, CHEMBL1472131, DTXSID3051830, BDBM51269, MolPort-000-725-928, HMS2801M18, ZINC4344110, CCG-46786, STK530702, AKOS003611595, MCULE-8597348586, n-butyl-4-butylamino-1,8-naphthalimide, NCGC00246448-01, 4-(Butylamino)-N-butyl-1,8-naphthalenedicarbimide, SR-01000636460-1, 2-butyl-6-(butylamino)benzo[de]isoquinoline-1,3-quinone, 2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 103598-93-2, 11118-22-2, 12765-30-9, 199396-78-6, 39471-51-7, 85537-62-8

ID: 2893
InChIKey: CMFNMSMUKZHDEY-UHFFFAOYSA-M
SMILES: N(=O)O[O-]

biological descriptors:

CFTR relevance: PARP-1 activator

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

chemical graph of compound 2893



CID is 104806
synonyms found at PubChem are:
oxido nitrite, 19059-14-4, Peroxynitrite (8CI,9CI), Oxoperoxonitrate(1-), Peroxonitrous acid anion, ONOO-, oxidoperoxidonitrate(1-), AC1L2XJ8, Peroxynitrosyl (NO3) (6CI), CHEBI:25941, CTK0H5961, DTXSID10172540, CMFNMSMUKZHDEY-UHFFFAOYSA-M, [NO(OO)](-), LS-102485, C16845

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: 2131
InChIKey: SSMIFVHARFVINF-UHFFFAOYSA-N
SMILES: C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)N

biological descriptors:

CFTR relevance: PARP-1 inhibitor

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

chemical graph of compound 2131



CID is 1720
synonyms found at PubChem are:
4-Amino-1,8-naphthalimide, 1742-95-6, 4-Aminonaphthalimide, 6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE, 6-Amino-1H-benzo[de]isoquinoline-1,3(2H)-dione, 4-Aminonaphthalene-1,8-dicarboximide, Naphthalimide, 4-amino-, DFP 1, 1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-amino-, EINECS 217-110-1, 6-aminobenzo[de]isoquinoline-1,3-dione, BRN 0177185, PARP Inhibitor V, 4-ANI, CHEMBL338790, CHEBI:40071, SSMIFVHARFVINF-UHFFFAOYSA-N, 4-AMINO-1,8 NAPHTHALIMIDE, 6-Amino-1H-benz(de)isoquinoline-1,3(2H)-dione, 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-amino-, 4AN, 2pax, AC1Q6JKU, Lopac-A-0966, D03JTS, D09VUP, 4-ANI, Lopac0_000063, SCHEMBL21124, BSPBio_001430, KBioGR_000150, KBioSS_000150, 4-22-00-06603 (Beilstein Handbook Reference), AC1L1C36, ZINC8558, DTXSID6061941, BCBcMAP01_000231, BDBM27498, CTK8F5667, KBio2_000150, KBio2_002718, KBio2_005286, KBio3_000299, KBio3_000300, MolPort-002-499-717, Bio1_000370, Bio1_000859, Bio1_001348, Bio2_000150, Bio2_000630, HMS1361H12, HMS1791H12, HMS1989H12, HMS3260M07, HMS3402H12, BB_SC-07136, 4-Amino-1,8-naphthalimide, 96%, Tox21_500063, BBL027625, MFCD00006921, SBB003425, STK934866, AKOS005664748, AC-6718, CCG-204158, DB07096, LP00063, MCULE-5608953652, IDI1_033900, NCGC00015035-01, NCGC00015035-02, NCGC00015035-03, NCGC00015035-04, NCGC00015035-05, NCGC00015035-06, NCGC00015035-07, NCGC00093577-01, NCGC00093577-02, NCGC00093577-03, NCGC00093577-04, NCGC00093577-05, NCGC00260748-01, AJ-08314, AN-20710, AS-35824, CC-17680, LS-33496, ZB000667, AX8093535, A8840, EU-0100063, FT-0633814, ST50825610, A 0966, A-2606, 6-amino-1H-benz[de]-isoquinoline-1,3(2H)-dione, 7-Amino-3-hydroxy-1H-benzo[de]isoquinolin-1-one, C-30851, SR-01000075200, J-010976, SR-01000075200-1, 6-Amino-1H-benzo[de]isoquinoline-1,3(2H)-dione #, BRD-K50214219-001-02-4, I14-18437, 10-amino-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione, 4-aminonaphthalene-1,8-dicarboxylic anhydride;6-Aminobenz[de]isochromene-1,3-dione

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