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Compound Detail

CHEMBL3930624

FLUZOPARIB
🧪 Phase III
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🧪 Phase III
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2nc(C(F)(F)F)nc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3930624
Name FLUZOPARIB
Phase Phase III
Structure Type MOL
InChI Key XJGXCBHXFWBOTN-UHFFFAOYSA-N

Known Names

Fluzoparib Fuzuloparib Fuzuopali HS-10160 HS10160 SHR-3162 Shr3162
1
Targets
9
Activities
1
Assay Types
1
PK Parameters
18
Publications
7
Known Names
20
Indications

Molecular Properties

472.4
MW (Da)
2.92
ALogP
6
HBA
1
HBD
96.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -parib

Extended Properties

Molecular Formula C22H16F4N6O2
MW 472.40
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.79

Indications

Breast Neoplasms Ovarian Neoplasms Ovarian Neoplasms Pancreatic Neoplasms Pancreatic Neoplasms Prostatic Neoplasms, Castration-Resistant Carcinoma, Non-Small-Cell Lung Carcinoma, Renal Cell Endometrial Neoplasms Esophageal Neoplasms Nasopharyngeal Carcinoma Neoplasms Neoplasms Sarcoma Sarcoma Triple Negative Breast Neoplasms Kidney Diseases Liver Diseases Melanoma Small Cell Lung Carcinoma

Activity Summary

IC50 9 meas. best 8.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Poly [ADP-ribose] polymerase 1
CHEMBL3105
 IC50 8.84 8.6489 1.5 9

Pharmacokinetic Data

Parameter Value Units Species
F 35.8 % Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Poly [ADP-ribose] polymerase 1 IC50 = 1.46 nM 8.84 Inhibition of PARP1 (unknown origin) by ELISA 32717529
Poly [ADP-ribose] polymerase 1 IC50 = 1.46 nM 8.84 Inhibition of PARP1 (unknown origin) by ELISA 38516606
Poly [ADP-ribose] polymerase 1 IC50 = 1.46 nM 8.84 Inhibition of PARP1 (unknown origin) using histone as substrate by ELISA 37605459
Poly [ADP-ribose] polymerase 1 IC50 = 1.46 nM 8.84 Inhibition of PARP1 (unknown origin) 37843892
Poly [ADP-ribose] polymerase 1 IC50 = 1.46 nM 8.84 Inhibition of PARP-1 (unknown origin) 38776379
Poly [ADP-ribose] polymerase 1 IC50 = 1.46 nM 8.84 Inhibition of PARP1 (unknown origin) 38838546
Poly [ADP-ribose] polymerase 1 IC50 = 1.5 nM 8.82 Inhibition of PARP1 (unknown origin) 38477575
Poly [ADP-ribose] polymerase 1 IC50 = 10.2 nM 7.99 HTF Homologous PARP Inhibition Assay: The tested compounds were dissolved in dim... -
Poly [ADP-ribose] polymerase 1 IC50 = 10.2 nM 7.99 Enzyme Activity: he assay described below is to determine the activity of the co... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5724796 Cyclin-dependent kinase 2 1
- 10.6019/CHEMBL5724796 Bromodomain-containing protein 4 1
- 10.6019/CHEMBL5724796 Transcription intermediary factor 1-alpha 1
- 10.6019/CHEMBL5724796 Peregrin 1
- 10.6019/CHEMBL5724796 Fibroblast growth factor receptor 2 1
- 10.6019/CHEMBL5724796 Tyrosine-protein kinase ABL1 1
- 10.6019/CHEMBL5724796 Aurora kinase A 1
- 10.6019/CHEMBL5724796 Mitogen-activated protein kinase 1 1
- 10.6019/CHEMBL5724796 Glycogen synthase kinase-3 beta 1
32717529 10.1016/j.ejmech.2020.112570 ADMET 1
- 10.6019/CHEMBL5724796 Casein kinase I isoform delta 1
38838546 10.1016/j.ejmech.2024.116535 Poly [ADP-ribose] polymerase 1 1
38477575 10.1021/acs.jmedchem.4c00077 Poly [ADP-ribose] polymerase 1 1
38776379 10.1021/acs.jmedchem.3c02460 Poly [ADP-ribose] polymerase 1 1
37843892 10.1021/acs.jmedchem.3c01152 Poly [ADP-ribose] polymerase 1 1
37605459 10.1021/acs.jmedchem.3c00821 Poly [ADP-ribose] polymerase 1 1
38516606 10.1039/d3md00751k Poly [ADP-ribose] polymerase 1 1
32717529 10.1016/j.ejmech.2020.112570 Poly [ADP-ribose] polymerase 1 1

Data from ChEMBL 36 via Core Engine