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

CHEMBL5805264

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)c4cccc(C)c4)ccc3s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5805264
Phase Preclinical
Structure Type MOL
InChI Key VYGZYNLUTMTLKL-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
4.89
ALogP
6
HBA
2
HBD
94.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19N3O3S
MW 417.49
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.47

Activity Summary

IC50 6 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 7.6 7.48 25.0 3
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.6 7.36 25.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 25.0 nM 7.6 Biochemical Assay: Biochemical KDR kinase assays were performed in 96 well micro... -
Platelet-derived growth factor receptor beta IC50 = 25.0 nM 7.6 Kinase Assay: PDGFRβ: Biochemical PDGFRβ kinase assays were performed in 96 well... -
Platelet-derived growth factor receptor beta IC50 = 25.0 nM 7.6 PDGFRbeta Kinase Assay: Biochemical PDGFRβ kinase assays were performed in 96 we... -
Platelet-derived growth factor receptor beta IC50 = 57.0 nM 7.24 Biochemical Assay: Biochemical PDGFRβ kinase assays were performed in 96 well mi... -
Vascular endothelial growth factor receptor 2 IC50 = 57.0 nM 7.24 Kinase Assay: VEGFR2: Biochemical KDR kinase assays were performed in 96 well mi... -
Vascular endothelial growth factor receptor 2 IC50 = 57.0 nM 7.24 VEGFR2 Kinase Assay: Biochemical KDR kinase assays were performed in 96 well mic... -

Data from ChEMBL 36 via Core Engine