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CHEBI:177299 - 2-{4-[(3R)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide

ChEBI IDCHEBI:177299
ChEBI Name2-{4-[(3R)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide
Stars
ASCII Name2-{4-[(3R)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide
DefinitionA 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide that has R-configuration. It is a potent PARP1 inhibitor with IC50 of 2.4 nM.
Last Modified6 August 2021
SubmitterAdnan
DownloadsMolfile
FormulaC19H20N4O
Net Charge0
Average Mass320.396
Monoisotopic Mass320.16371
SMILES[H][C@]1(c2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)CCCNC1
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)/t14-/m0/s1
InChIKeyPCHKPVIQAHNQLW-AWEZNQCLSA-N
Roles Classification
Biological Roles:
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).
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).
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
2-{4-[(3R)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide (CHEBI:177299) has role antineoplastic agent (CHEBI:35610)
2-{4-[(3R)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide (CHEBI:177299) has role EC 2.4.2.30 (NAD+ ADP-ribosyltransferase) inhibitor (CHEBI:62913)
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)
IUPAC Name 
2-{4-[(3R)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide
Synonyms  Source
niraparib (R-enantiomer)ChEBI
MK-4827 (R-enantiomer)ChEBI
2-[4-(3R)-3-piperidinylphenyl]-2H-indazole-7-carboxamideChEBI
2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamideChEBI
ent-niraparibChEBI
(R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamideChEBI
Manual XrefsDatabases
24671122ChemSpider
Registry NumbersSources
CAS:1038915-58-0ChEBI
Citations