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Compound Detail

CHEMBL5783751

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CS(C)(=O)=NC(=O)c1cnc(N)c(-c2cc3cc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc3s2)c1

Basic Information

ChEMBL ID CHEMBL5783751
Phase Preclinical
Structure Type MOL
InChI Key KWVSNBQCQKQRHX-UHFFFAOYSA-N
3
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

582.0
MW (Da)
6.73
ALogP
6
HBA
3
HBD
126.5
PSA (Ų)
0.25
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19ClF3N5O3S2
MW 582.03
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.44

Activity Summary

IC50 10 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 8.22 7.86 6.0 3
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 8.22 8.02 6.0 4
Interferon-induced, double-stranded RNA-activated protein kinase
CHEMBL5785
IC50 7.16 7.16 69.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor beta IC50 = 6.0 nM 8.22 Biochemical Assay: Biochemical PDGFRβ kinase assays were performed in 96 well mi... -
Vascular endothelial growth factor receptor 2 IC50 = 6.0 nM 8.22 Kinase Assay: VEGFR2: Biochemical KDR kinase assays were performed in 96 well mi... -
Vascular endothelial growth factor receptor 2 IC50 = 6.0 nM 8.22 VEGFR2 Kinase Assay: Biochemical KDR kinase assays were performed in 96 well mic... -
Vascular endothelial growth factor receptor 2 IC50 = 11.0 nM 7.96 VEGFR2 Cellular Assay: Automated FLIPR (Fluorometric Imaging Plate Reader) techn... -
Vascular endothelial growth factor receptor 2 IC50 = 21.0 nM 7.68 Biochemical Assay: Biochemical KDR kinase assays were performed in 96 well micro... -
Platelet-derived growth factor receptor beta IC50 = 21.0 nM 7.68 Kinase Assay: PDGFRβ: Biochemical PDGFRβ kinase assays were performed in 96 well... -
Platelet-derived growth factor receptor beta IC50 = 21.0 nM 7.68 PDGFRbeta Kinase Assay: Biochemical PDGFRβ kinase assays were performed in 96 we... -
Interferon-induced, double-stranded RNA-activated protein kinase IC50 = 69.0 nM 7.16 PKR KinaseGlo Assay: Commercially available recombinant human GST-PKR (SignalChe... -
Interferon-induced, double-stranded RNA-activated protein kinase IC50 = 69.0 nM 7.16 KinaseGlo Assay: PKR: Commercially available recombinant human GST-PKR (1.5 uM-2... -
Interferon-induced, double-stranded RNA-activated protein kinase IC50 = 69.0 nM 7.16 PKR KinaseGlo Assay: Commercially available recombinant human GST-PKR (SignalChe... -

Data from ChEMBL 36 via Core Engine