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

CHEMBL1290136

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
C[C@@H]1Oc2ccc(-c3csc(NC(=O)c4cccc(Cl)c4)n3)cc2NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1290136
Phase Preclinical
Structure Type MOL
InChI Key RBOBRTIZLCZSMH-JTQLQIEISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.9
MW (Da)
4.44
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14ClN3O3S
MW 399.86
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.85

Activity Summary

IC50 1 meas. best 8.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.47 8.47 3.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 3.4 nM 8.47 Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay 20869793

Literature References

PubMed DOI Target Context # Activities
20869793 10.1016/j.ejmech.2010.09.002 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine