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CHEBI:177298 - 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide

ChEBI IDCHEBI:177298
ChEBI Name2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide
Stars
ASCII Name2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide
DefinitionA member of the class of indazoles that is 2H-indazole substituted by 4-(piperidin-3-yl)phenyl and aminocarbonyl groups at positions 2 and 7, respectively. It is a potent PARP1 inhibitor with IC50 of 3.2 nM.
Last Modified6 August 2021
SubmitterAdnan
DownloadsMolfile
FormulaC19H20N4O
Net Charge0
Average Mass320.396
Monoisotopic Mass320.16371
SMILESNC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12
InChIInChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)
InChIKeyPCHKPVIQAHNQLW-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor  An EC 2.4.2.* (pentosyltransferase) inhibitor that interferes with the action of a NAD+ ADP-ribosyltransferase (EC 2.4.2.30).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide (CHEBI:177298) has role antineoplastic agent (CHEBI:35610)
2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide (CHEBI:177298) has role EC 2.4.2.30 (NAD+ ADP-ribosyltransferase) inhibitor (CHEBI:62913)
2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide (CHEBI:177298) is a benzenes (CHEBI:22712)
2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide (CHEBI:177298) is a indazoles (CHEBI:38769)
2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide (CHEBI:177298) is a piperidines (CHEBI:26151)
2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide (CHEBI:177298) is a primary carboxamide (CHEBI:140324)
Incoming Relation(s)
2-{4-[(3R)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide (CHEBI:177299) is a 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide (CHEBI:177298)
niraparib (CHEBI:176844) is a 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide (CHEBI:177298)
IUPAC Name 
2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide
Citations