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

CHEMBL5951980

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
COC(=O)c1cnc(N)c(-c2cc3cc(NC(=O)Nc4cccc(C(F)(F)F)c4)ccc3s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5951980
Phase Preclinical
Structure Type MOL
InChI Key UBICMXXPSIFNBD-UHFFFAOYSA-N
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

486.5
MW (Da)
5.99
ALogP
6
HBA
3
HBD
106.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17F3N4O3S
MW 486.48
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.47

Activity Summary

IC50 7 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 8.0233 7.0 3
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.15 7.98 7.0 4

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... -
Vascular endothelial growth factor receptor 2 IC50 = 11.0 nM 7.96 Biochemical Assay: Biochemical KDR kinase assays were performed in 96 well micro... -
Platelet-derived growth factor receptor beta IC50 = 11.0 nM 7.96 Kinase Assay: PDGFRβ: Biochemical PDGFRβ kinase assays were performed in 96 well... -
Platelet-derived growth factor receptor beta IC50 = 11.0 nM 7.96 PDGFRbeta Kinase Assay: Biochemical PDGFRβ kinase assays were performed in 96 we... -
Vascular endothelial growth factor receptor 2 IC50 = 22.0 nM 7.66 VEGFR2 Cellular Assay: Automated FLIPR (Fluorometric Imaging Plate Reader) techn... -

Data from ChEMBL 36 via Core Engine