TALAZOPARIB TOSYLATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 02WK9U5NZC
Parent Compound: TALAZOPARIB

Structure

InChI Key QUQKKHBYEFLEHK-QNBGGDODSA-N
Smiles Cc1ccc(S(=O)(=O)O)cc1.Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1
InChI
InChI=1S/C19H14F2N6O.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h2-8,15-16,24H,1H3,(H,26,28);2-5H,1H3,(H,8,9,10)/t15-,16-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H22F2N6O4S
Molecular Weight 552.56
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

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 CHEMBL3137318
FDA SRS 02WK9U5NZC
PubChem 135565654
SureChEMBL SCHEMBL2717160
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