CHEBI:83766 - olaparib

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ChEBI Name olaparib
ChEBI ID CHEBI:83766
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kimberly Van Auken
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Formula C24H23FN4O3
Net Charge 0
Average Mass 434.46280
Monoisotopic Mass 434.175
InChI InChI=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)
InChIKey FDLYAMZZIXQODN-UHFFFAOYSA-N
SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1
Roles Classification
Biological Role(s): 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).
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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
olaparib KEGG DRUG
Synonyms Sources
AZD-2281 SUBMITTER
AZD2281 SUBMITTER
KU59436 SUBMITTER
Brand Name Source
Lynparza SUBMITTER
Manual Xrefs Databases
09L PDBeChem
4907 DrugCentral
D09730 KEGG DRUG
LSM-1145 LINCS
Olaparib Wikipedia
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Registry Numbers Types Sources
12051534 Reaxys Registry Number Reaxys
763113-22-0 CAS Registry Number ChemIDplus
763113-22-0 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
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Last Modified
22 February 2017