CHEBI:83766 - olaparib

ChEBI IDCHEBI:83766
ChEBI Nameolaparib
Stars
DefinitionA member of the class of N-acylpiperazines obtained by formal condensation of the carboxy group of 2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid with the free amino group of N-(cyclpropylcarbonyl)piperazine; used to treat advanced ovarian cancer.
Last Modified22 February 2017
Submittervanaukenk
DownloadsMolfile
FormulaC24H23FN4O3
Net Charge0
Average Mass434.471
Monoisotopic Mass434.17542
SMILESO=C(c1cc(Cc2nnc(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
InChIKeyFDLYAMZZIXQODN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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)
olaparib (CHEBI:83766) has role antineoplastic agent (CHEBI:35610)
olaparib (CHEBI:83766) has role apoptosis inducer (CHEBI:68495)
olaparib (CHEBI:83766) has role EC 2.4.2.30 (NAD+ ADP-ribosyltransferase) inhibitor (CHEBI:62913)
olaparib (CHEBI:83766) is a N-acylpiperazine (CHEBI:46844)
olaparib (CHEBI:83766) is a cyclopropanes (CHEBI:51454)
olaparib (CHEBI:83766) is a monofluorobenzenes (CHEBI:83575)
olaparib (CHEBI:83766) is a phthalazines (CHEBI:38768)
IUPAC Name 
4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one
INN  Source
olaparibKEGG DRUG
Synonyms  Source
AZD-2281SUBMITTER
AZD2281SUBMITTER
KU59436SUBMITTER
Brand Name  Source
LynparzaSUBMITTER
Manual XrefsDatabases
D09730KEGG DRUG
09LPDBeChem
OlaparibWikipedia
LSM-1145LINCS
4907DrugCentral
Registry NumbersSources
Reaxys:12051534Reaxys
CAS:763113-22-0KEGG DRUG
CAS:763113-22-0ChemIDplus
Citations