Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL6029379

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CS(C)(=O)=NC(=O)c1cnc(N)c(-c2cc3cc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)ccc3s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6029379
Phase Preclinical
Structure Type MOL
InChI Key XTCSSXNPALQZJQ-UHFFFAOYSA-N
3
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

565.6
MW (Da)
6.22
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 C24H19F4N5O3S2
MW 565.57
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.75

Activity Summary

IC50 10 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.3 8.0775 5.0 4
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 8.22 7.7867 6.0 3
Interferon-induced, double-stranded RNA-activated protein kinase
CHEMBL5785
 IC50 6.78 6.78 167.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 5.0 nM 8.3 VEGFR2 Cellular Assay: Automated FLIPR (Fluorometric Imaging Plate Reader) techn... -
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 = 27.0 nM 7.57 Biochemical Assay: Biochemical KDR kinase assays were performed in 96 well micro... -
Platelet-derived growth factor receptor beta IC50 = 27.0 nM 7.57 Kinase Assay: PDGFRβ: Biochemical PDGFRβ kinase assays were performed in 96 well... -
Platelet-derived growth factor receptor beta IC50 = 27.0 nM 7.57 PDGFRbeta Kinase Assay: Biochemical PDGFRβ kinase assays were performed in 96 we... -
Interferon-induced, double-stranded RNA-activated protein kinase IC50 = 167.0 nM 6.78 PKR KinaseGlo Assay: Commercially available recombinant human GST-PKR (SignalChe... -
Interferon-induced, double-stranded RNA-activated protein kinase IC50 = 167.0 nM 6.78 KinaseGlo Assay: PKR: Commercially available recombinant human GST-PKR (1.5 uM-2... -
Interferon-induced, double-stranded RNA-activated protein kinase IC50 = 167.0 nM 6.78 PKR KinaseGlo Assay: Commercially available recombinant human GST-PKR (SignalChe... -

Data from ChEMBL 36 via Core Engine