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Compound Detail

CHEMBL5773012

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CS(C)(=O)=NC(=O)c1cnc(N)c(-c2cc3cc(NC(=O)c4cc(C(F)(F)F)ccc4F)ccc3s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5773012
Phase Preclinical
Structure Type MOL
InChI Key LVVMPDZXTNGTBQ-UHFFFAOYSA-N
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

550.6
MW (Da)
5.82
ALogP
6
HBA
2
HBD
114.5
PSA (Ų)
0.31
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18F4N4O3S2
MW 550.56
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.64

Activity Summary

IC50 7 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 6.89 6.8433 128.0 3
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 6.89 6.595 128.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 128.0 nM 6.89 Biochemical Assay: Biochemical KDR kinase assays were performed in 96 well micro... -
Platelet-derived growth factor receptor beta IC50 = 128.0 nM 6.89 Kinase Assay: PDGFRβ: Biochemical PDGFRβ kinase assays were performed in 96 well... -
Platelet-derived growth factor receptor beta IC50 = 128.0 nM 6.89 PDGFRbeta Kinase Assay: Biochemical PDGFRβ kinase assays were performed in 96 we... -
Platelet-derived growth factor receptor beta IC50 = 178.0 nM 6.75 Biochemical Assay: Biochemical PDGFRβ kinase assays were performed in 96 well mi... -
Vascular endothelial growth factor receptor 2 IC50 = 178.0 nM 6.75 Kinase Assay: VEGFR2: Biochemical KDR kinase assays were performed in 96 well mi... -
Vascular endothelial growth factor receptor 2 IC50 = 178.0 nM 6.75 VEGFR2 Kinase Assay: Biochemical KDR kinase assays were performed in 96 well mic... -
Vascular endothelial growth factor receptor 2 IC50 = 1023.0 nM 5.99 VEGFR2 Cellular Assay: Automated FLIPR (Fluorometric Imaging Plate Reader) techn... -

Data from ChEMBL 36 via Core Engine