talazoparib   Click here for help

GtoPdb Ligand ID: 8313

Synonyms: BMN-673 | BMN673 | Talzenna®
Approved drug
talazoparib is an approved drug (FDA (2018), EMA (2019))
Compound class: Synthetic organic
Comment: Talazoparib is a PARP inhibitor [8], inhibiting both PARP1 and PARP2 [1,8]. The compound is bioavailable as the tosylate salt (PubChem CID 56966514).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 91.72
Molecular weight 380.12
XLogP 3.54
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)C1N=c2cc(F)cc3c2c(C1c1ncnn1C)[nH][nH]c3=O
Isomeric SMILES Fc1ccc(cc1)[C@H]1N=c2cc(F)cc3c2c([C@@H]1c1ncnn1C)[nH][nH]c3=O
InChI InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,25H,1H3,(H,26,28)/t15-,16-/m1/s1
InChI Key IUEWAGVJRJORLA-HZPDHXFCSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2018), EMA (2019))
International Nonproprietary Names Click here for help
INN number INN
9868 talazoparib
Synonyms Click here for help
BMN-673 | BMN673 | Talzenna®
Database Links Click here for help
BindingDB Ligand 50084621
ChEMBL Ligand CHEMBL3137320
DrugBank Ligand DB11760
GtoPdb PubChem SID 252166525
PubChem CID 135565082
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SynPHARM 81953 (in complex with poly(ADP-ribose) polymerase 1)
81954 (in complex with poly(ADP-ribose) polymerase 2)