Talazoparib
(11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
Molecular Identity
Talazoparib
(11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
PubChem CID: 135565082
Talazoparib is an orally available small molecule inhibitor of the DNA repair enzyme poly ADP-ribose polymerase (PARP) which is used as an antineoplastic agent in the treatment of selected cases of breast cancer. Talazoparib is associated with a moderate rate of serum aminotransferase elevations during therapy and is suspected to cause rare instances of clinically apparent acute liver injury.
2D Structure
Properties
C19H14F2N6O
Molecular Formula
380.40
Molecular Weight
g/mol
380.1197
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
84.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
654
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Talazoparib1207456-01-6BMN-673BMN 673BMN6739QHX048FRVPF-06944076DTXSID0010259283H-Pyrido(4,3,2-de)phthalazin-3-one, 5-fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-, (8S,9R)-talazoparibumRefChem:57302L01XX60DTXCID901510174(11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(1-methyl-1H-1,2,4-triazol-5-yl)-2,3,10-triazatricyclo(7.3.1.0^(5,13))trideca-1,5,7,9(13)-tetraen-4-one815-271-8
Data from PubChem (NCBI)
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