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Compound Detail

CHEMBL3137320

TALAZOPARIB
💊 Approved Drug
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💊 Approved Drug
Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3137320
Name TALAZOPARIB
Phase Approved
Structure Type MOL
InChI Key HWGQMRYQVZSGDQ-HZPDHXFCSA-N
Therapeutic ✓ Yes

Known Names

BMN 673 BMN-673 LT-673 PF-06944076 Talazoparib
24
Targets
76
Activities
4
Assay Types
24
PK Parameters
20
Publications
5
Known Names
20
Indications
2
Mechanisms

Molecular Properties

380.4
MW (Da)
2.63
ALogP
6
HBA
2
HBD
88.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2018
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

Chemical Probe
USAN Stem -parib
USAN Year 2014

Extended Properties

Molecular Formula C19H14F2N6O
MW 380.36
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.16

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Poly [ADP-ribose] polymerase-1 inhibitor INHIBITOR Poly [ADP-ribose] polymerase 1 ✓ ✓
Poly [ADP-ribose] polymerase 2 inhibitor INHIBITOR Poly [ADP-ribose] polymerase 2 ✓ ✓

Indications

Breast Neoplasms Breast Neoplasms Breast Neoplasms Neoplasms Neoplasms Ovarian Neoplasms Prostatic Neoplasms, Castration-Resistant Carcinoma, Non-Small-Cell Lung Carcinoma, Renal Cell Carcinoma, Squamous Cell Endometrial Neoplasms Glioblastoma Hemangiosarcoma Hereditary Breast and Ovarian Cancer Syndrome Melanoma Pheochromocytoma Prostatic Neoplasms Prostatic Neoplasms Small Cell Lung Carcinoma Triple Negative Breast Neoplasms

ATC Classification

L01XK04
talazoparib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

IC50 53 meas. best 10.92
Kd 10 meas. best 9.22
EC50 8 meas. best 9.52
Ki 5 meas. best 9.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MDA-MB-436
CHEMBL4296465
 IC50 10.92 9.83 0.0 3
Poly [ADP-ribose] polymerase 2
CHEMBL5366
 IC50 9.7 9.08 0.2 6
MX1
CHEMBL613704
 EC50 9.52 9.52 0.3 1
MDA-MB-157
CHEMBL1075496
 IC50 9.43 9.43 0.4 1
Unchecked
CHEMBL612545
 IC50 9.38 7.2657 0.4 7
HCC1395
CHEMBL1075454
 IC50 9.34 9.34 0.5 1
Poly [ADP-ribose] polymerase 1
CHEMBL3105
 IC50 9.24 8.9981 0.6 16
Poly [ADP-ribose] polymerase 1
CHEMBL3105
 Ki 9.24 9.0267 0.6 3
Poly [ADP-ribose] polymerase 1
CHEMBL3105
 Kd 9.22 9.09 0.6 2
Protein mono-ADP-ribosyltransferase PARP4
CHEMBL6142
 Kd 9.15 9.15 0.7 1
Poly [ADP-ribose] polymerase 2
CHEMBL5366
 Ki 9.07 9.06 0.8 2
SUM149PT
CHEMBL4296497
 EC50 8.8 8.215 1.6 2
CAPAN-1
CHEMBL614536
 IC50 8.74 7.63 1.8 3
DLD-1
CHEMBL614285
 IC50 8.7 7.5729 2.0 7
PARP 1, 2 and 3
CHEMBL3390820
 EC50 8.6 8.6 2.5 2
Poly [ADP-ribose] polymerase 1
CHEMBL3105
 EC50 8.49 8.49 3.2 1
Poly [ADP-ribose] polymerase 2
CHEMBL5366
 Kd 8.48 8.48 3.3 1
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 8.3 8.3 5.0 1
HEK293
CHEMBL614818
 IC50 8.3 8.3 5.0 1
HCT-116
CHEMBL394
 IC50 8.05 7.8525 9.0 4
Poly [ADP-ribose] polymerase tankyrase-1
CHEMBL6164
 Kd 7.85 7.565 14.0 2
Protein mono-ADP-ribosyltransferase PARP3
CHEMBL5083
 Kd 7.62 7.62 24.0 1
Protein mono-ADP-ribosyltransferase PARP11
CHEMBL2380189
 IC50 6.85 6.85 140.0 1
MRC5
CHEMBL614181
 EC50 6.51 6.51 310.0 1
Olaparib-resistant CAPAN-1
CHEMBL6066794
 IC50 6.43 6.43 367.0 1
Protein mono-ADP-ribosyltransferase PARP16
CHEMBL4105981
 Kd 6.0 6.0 1000.0 1
Protein mono-ADP-ribosyltransferase PARP8
CHEMBL3091262
 Kd 5.96 5.96 1100.0 1
Poly [ADP-ribose] polymerase tankyrase-1
CHEMBL6164
 IC50 5.72 5.72 1900.0 1
V79
CHEMBL614074
 IC50 5.3 5.3 5011.4 1
Protein mono-ADP-ribosyltransferase PARP10
CHEMBL2429708
 Kd 5.24 5.24 5700.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 56134.0 ng.hr.mL-1 Rattus norvegicus
AUC 619.0 ng.hr.mL-1 Canis lupus familiaris
AUC 629.0 ng.hr.mL-1 Canis lupus familiaris
AUC 6541.8 ng.hr.mL-1 Rattus norvegicus
AUC 13173.3 ng.hr.mL-1 Rattus norvegicus
CL 2.0 mL.min-1.kg-1 Rattus norvegicus
CL 3.333 mL.min-1.kg-1 Rattus norvegicus
Cmax 20895.99 nM Rattus norvegicus
Cmax 189.82 nM Canis lupus familiaris
Cmax 5415.92 nM Rattus norvegicus
Cmax 8160.69 nM Rattus norvegicus
F 56.0 % Rattus norvegicus
F 120.9 % Canis lupus familiaris
F 103.5 % Rattus norvegicus
F 40.0 % Rattus norvegicus
T1/2 2.25 hr Rattus norvegicus
T1/2 17.9 hr Canis lupus familiaris
T1/2 40.0 hr Homo sapiens
T1/2 4.6 hr Rattus norvegicus
T1/2 3.4 hr Rattus norvegicus
T1/2 1.0 hr Mus musculus
T1/2 40.0 hr Rattus norvegicus
Tmax 2.0 hr Canis lupus familiaris
Vd 1.1 L.kg-1 Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MDA-MB-436 IC50 = 0.012 nM 10.92 Cytotoxicity against human MDA-MB-436 cells assessed as inhibition of cell viabi... 33120078
Poly [ADP-ribose] polymerase 2 IC50 = 0.2 nM 9.7 Inhibition of PARP2 (unknown origin) using NAD as substrate incubated for 1 min 35442700
MX1 EC50 = 0.3 nM 9.52 Cytotoxicity against BRCA1-deficient human MX1 cells 26652717
Poly [ADP-ribose] polymerase 2 IC50 = 0.3 nM 9.52 Inhibition of PARP-2 (unknown origin) 38776379
Poly [ADP-ribose] polymerase 2 IC50 = 0.3 nM 9.52 Inhibition of PARP2 (unknown origin) 37843892
MDA-MB-157 IC50 = 0.37 nM 9.43 Anticancer activity against human MDA-MB-157 cells assessed as cell growth inhib... 38838546
MDA-MB-436 IC50 = 0.38 nM 9.42 Cytotoxicity against human MDA-MB-436 cells assessed as inhibition of cell viabi... 33120078
Unchecked IC50 = 0.417 nM 9.38 Cytotoxicity against CHO 51D1 cells with Rad51d knockout assessed as reduction i... 37484567
HCC1395 IC50 = 0.46 nM 9.34 Anticancer activity against human HCC1395 cells assessed as cell growth inhibiti... 38838546
Poly [ADP-ribose] polymerase 1 IC50 = 0.57 nM 9.24 Inhibition of PARP1 (unknown origin) after 1 min in presence of NAD by top count... 30684797
Poly [ADP-ribose] polymerase 1 IC50 = 0.57 nM 9.24 Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate s... 26652717
Poly [ADP-ribose] polymerase 1 IC50 = 0.57 nM 9.24 Inhibition of PARP1 (unknown origin) 35051747
Poly [ADP-ribose] polymerase 1 IC50 = 0.57 nM 9.24 Inhibition of human recombinant PARP-1 (662 to 1011 residues) 27416328
Poly [ADP-ribose] polymerase 1 IC50 = 0.57 nM 9.24 Inhibition of recombinant human PARP1 using HRP as substrate by ELISA analysis 38911148
Poly [ADP-ribose] polymerase 1 IC50 = 0.58 nM 9.24 Inhibition of PARP1 (unknown origin) 27353531
Poly [ADP-ribose] polymerase 1 Ki = 0.58 nM 9.24 Binding affinity to PARP1 (unknown origin) assessed as inhibition constant 35051747
Poly [ADP-ribose] polymerase 1 IC50 = 0.6 nM 9.22 Inhibition of PARP1 (unknown origin) 25761096
Poly [ADP-ribose] polymerase 1 Kd = 0.6 nM 9.22 Binding affinity to PARP1 (unknown origin) assessed as dissociation constant inc... 36989813
Poly [ADP-ribose] polymerase 2 IC50 = 0.6 nM 9.22 Inhibition of N-terminal GST-tagged human PARP2 (2 to 583 residues) expressed in... 33120078
Poly [ADP-ribose] polymerase 1 IC50 = 0.6 nM 9.22 Inhibition of PARP1 (unknown origin) using NAD as substrate incubated for 1 min 35442700

Literature References

PubMed DOI Target Context # Activities
33691794 10.1186/s13148-021-01037-1 A549 11
33120078 10.1016/j.bmc.2020.115819 ADMET 10
28692916 10.1016/j.ejmech.2017.06.053 ADMET 9
26652717 10.1021/acs.jmedchem.5b01498 Canis familiaris 9
28692916 10.1016/j.ejmech.2017.06.053 Rattus norvegicus 9
26652717 10.1021/acs.jmedchem.5b01498 MX1 8
37484567 10.1039/d3md00117b DLD-1 7
26652717 10.1021/acs.jmedchem.5b01498 Rattus norvegicus 6
34570508 10.1021/acs.jmedchem.1c01012 Unchecked 6
37484567 10.1039/d3md00117b HCT-116 6
37567056 10.1016/j.ejmech.2023.115709 Unchecked 5
36989813 10.1016/j.ejmech.2023.115300 No relevant target 5
26652717 10.1021/acs.jmedchem.5b01498 LoVo 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
37484567 10.1039/d3md00117b Unchecked 4
37605459 10.1021/acs.jmedchem.3c00821 CAPAN-1 4
26652717 10.1021/acs.jmedchem.5b01498 Mus musculus 4
33120078 10.1016/j.bmc.2020.115819 MDA-MB-436 3
36989813 10.1016/j.ejmech.2023.115300 Poly [ADP-ribose] polymerase 1 3
33691794 10.1186/s13148-021-01037-1 Unchecked 3

Data from ChEMBL 36 via Core Engine