TALAZOPARIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC L01XK04
UNII 9QHX048FRV

Structure

InChI Key HWGQMRYQVZSGDQ-HZPDHXFCSA-N
Smiles Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1
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/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H14F2N6O
Molecular Weight 380.36
AlogP 2.63
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 88.49
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Poly [ADP-ribose] polymerase 2 inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
2.5-3.2 0.57-7.2 - 0.85-1.2 91
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- 4.2 - - -
Homo sapiens
0.3-310 0.012-7.2 - 0.85-1.2 65-91

Target Conservation

Protein: Poly [ADP-ribose] polymerase-1
Description: Poly [ADP-ribose] polymerase 1
Organism : Homo sapiens
P09874 ENSG00000143799
Protein: Poly [ADP-ribose] polymerase 2
Description: Poly [ADP-ribose] polymerase 2
Organism : Homo sapiens
Q9UGN5 ENSG00000129484

Cross References

Resources Reference
ChEMBL CHEMBL3137320
DrugBank DB11760
DrugCentral 5300
FDA SRS 9QHX048FRV
Guide to Pharmacology 8313
PDB 2YQ
PubChem 135565082
SureChEMBL SCHEMBL2299348
ZINC ZINC000072318110
CONTENTS