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

CHEMBL5878808

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)c1cncc(-c2cc3cc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)ccc3s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5878808
Phase Preclinical
Structure Type MOL
InChI Key HTYLSAJYCQVPBD-UHFFFAOYSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

550.6
MW (Da)
6.63
ALogP
5
HBA
2
HBD
100.5
PSA (Ų)
0.28
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 -1.92

Activity Summary

IC50 6 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 8.15 8.15 7.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.15 8.15 7.0 2
Interferon-induced, double-stranded RNA-activated protein kinase
CHEMBL5785
 IC50 6.26 6.26 551.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor beta IC50 = 7.0 nM 8.15 Biochemical Assay: Biochemical PDGFRβ kinase assays were performed in 96 well mi... -
Vascular endothelial growth factor receptor 2 IC50 = 7.0 nM 8.15 Kinase Assay: VEGFR2: Biochemical KDR kinase assays were performed in 96 well mi... -
Vascular endothelial growth factor receptor 2 IC50 = 7.0 nM 8.15 VEGFR2 Kinase Assay: Biochemical KDR kinase assays were performed in 96 well mic... -
Interferon-induced, double-stranded RNA-activated protein kinase IC50 = 551.0 nM 6.26 PKR KinaseGlo Assay: Commercially available recombinant human GST-PKR (SignalChe... -
Interferon-induced, double-stranded RNA-activated protein kinase IC50 = 551.0 nM 6.26 KinaseGlo Assay: PKR: Commercially available recombinant human GST-PKR (1.5 uM-2... -
Interferon-induced, double-stranded RNA-activated protein kinase IC50 = 551.0 nM 6.26 PKR KinaseGlo Assay: Commercially available recombinant human GST-PKR (SignalChe... -

Data from ChEMBL 36 via Core Engine