General Information of the Compound
Compound ID
CP0132947
Compound Name
BMN 673
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Synonyms
2YQ
4pjt
9QHX048FRV
Talazoparib
Talazoparib (BMN 673)
Talazoparib [USAN:INN]
Talzenna
UNII-9QHX048FRV
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Structure
Formula
C19H14F2N6O
Molecular Weight
380.358
Canonical SMILES
Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1
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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
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InChIKey
HWGQMRYQVZSGDQ-HZPDHXFCSA-N
CAS
1207456-01-6
Physicochemical Property
logP
2.6285
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
88.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 135565082
SID: 89447774
ChEMBL ID
CHEMBL3137320
DrugBank ID
DB11760
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00839, Poly [ADP-ribose] polymerase 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.57 nM
2 IC50 = 0.58 nM
3 IC50 = 0.6 nM
4 IC50 = 7.2 nM
5 Kd = 1.1 nM
6 Ki = 0.58 nM
7 Ki = 1.2 nM
Protein ID: PT01328, Poly [ADP-ribose] polymerase 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 0.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.2 nM
2 IC50 = 1 nM
3 Kd = 3.3 nM
4 Ki = 0.85 nM
5 Ki = 0.9 nM
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 4.95 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Talazoparib )
Drug Name Talazoparib
Company Pfizer
Indication
Breast cancer
Approved
Psoriatic arthritis
Phase 3