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Compound Detail

CHEMBL5965637

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Cc1ccc(F)c(C(=O)Nc2ccc3sc(-c4cc(C(=O)N=S(C)(C)=O)cnc4N)cc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5965637
Phase Preclinical
Structure Type MOL
InChI Key ZLPDKOZABIDJDR-UHFFFAOYSA-N
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
5.11
ALogP
6
HBA
2
HBD
114.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21FN4O3S2
MW 496.59
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.63

Activity Summary

IC50 7 meas. best 7.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.35 7.135 45.0 4
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 7.3 6.8267 50.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 45.0 nM 7.35 VEGFR2 Cellular Assay: Automated FLIPR (Fluorometric Imaging Plate Reader) techn... -
Platelet-derived growth factor receptor beta IC50 = 50.0 nM 7.3 Biochemical Assay: Biochemical PDGFRβ kinase assays were performed in 96 well mi... -
Vascular endothelial growth factor receptor 2 IC50 = 50.0 nM 7.3 Kinase Assay: VEGFR2: Biochemical KDR kinase assays were performed in 96 well mi... -
Vascular endothelial growth factor receptor 2 IC50 = 50.0 nM 7.3 VEGFR2 Kinase Assay: Biochemical KDR kinase assays were performed in 96 well mic... -
Vascular endothelial growth factor receptor 2 IC50 = 258.0 nM 6.59 Biochemical Assay: Biochemical KDR kinase assays were performed in 96 well micro... -
Platelet-derived growth factor receptor beta IC50 = 258.0 nM 6.59 Kinase Assay: PDGFRβ: Biochemical PDGFRβ kinase assays were performed in 96 well... -
Platelet-derived growth factor receptor beta IC50 = 258.0 nM 6.59 PDGFRbeta Kinase Assay: Biochemical PDGFRβ kinase assays were performed in 96 we... -

Data from ChEMBL 36 via Core Engine