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

CHEMBL5859302

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)CCCC[S@](C)(=O)=NC(=O)c1cnc(N)c(-c2cc3cc(NC(=O)Nc4cccc(C)c4)ccc3s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5859302
Phase Preclinical
Structure Type MOL
InChI Key OOHJCVUXVPWXFC-RWYGWLOXSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

593.7
MW (Da)
6.08
ALogP
8
HBA
3
HBD
152.8
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31N5O5S2
MW 593.73
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -1.13

Activity Summary

IC50 6 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 8.3 7.9667 5.0 3
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.3 8.1333 5.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor beta IC50 = 5.0 nM 8.3 Biochemical Assay: Biochemical PDGFRβ kinase assays were performed in 96 well mi... -
Vascular endothelial growth factor receptor 2 IC50 = 5.0 nM 8.3 Kinase Assay: VEGFR2: Biochemical KDR kinase assays were performed in 96 well mi... -
Vascular endothelial growth factor receptor 2 IC50 = 5.0 nM 8.3 VEGFR2 Kinase Assay: Biochemical KDR kinase assays were performed in 96 well mic... -
Vascular endothelial growth factor receptor 2 IC50 = 16.0 nM 7.8 Biochemical Assay: Biochemical KDR kinase assays were performed in 96 well micro... -
Platelet-derived growth factor receptor beta IC50 = 16.0 nM 7.8 Kinase Assay: PDGFRβ: Biochemical PDGFRβ kinase assays were performed in 96 well... -
Platelet-derived growth factor receptor beta IC50 = 16.0 nM 7.8 PDGFRbeta Kinase Assay: Biochemical PDGFRβ kinase assays were performed in 96 we... -

Data from ChEMBL 36 via Core Engine