Olaparib
4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
Molecular Identity
Olaparib
4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
PubChem CID: 23725625
Olaparib is 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. It has a role as an antineoplastic agent, an EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor and an apoptosis inducer. It is a member of phthalazines, a N-acylpiperazine, a member of cyclopropanes and a member of monofluorobenzenes.
2D Structure
Properties
C24H23FN4O3
Molecular Formula
434.50
Molecular Weight
g/mol
434.1754
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
82.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
790
Complexity
SMILES
Canonical SMILES
SMILES: C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)FIsomeric SMILES
SMILES: C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)FSynonyms(20)
Olaparib763113-22-0LynparzaAZD2281AZD-2281KU-0059436AZD 2281KU-59436WOH1JD9AR8OlaparibumAZ2281NSC-7478564-[[3-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-oneAZ-2281CHEBI:83766
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Olaparib
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