"J Goepp"
"HM Sampson"
"SM Anjos"
"R Phillipe"
"GW Carlile"
"F Dantzer"
"F Ciciriello"
"DL Zhang"
"H Balghi"
"P Lesimple"
"P Ferraro"
"JW Hanrahan"
"D Waller"
"J Liao"
"DY Thomas"
"R Robert"
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
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)
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)
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)
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)
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)
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
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