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

CHEMBL379320

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
CNC(=O)c1cccc(CSc2cnc(Nc3ccccn3)s2)c1

Basic Information

ChEMBL ID CHEMBL379320
Phase Preclinical
Structure Type MOL
InChI Key BZEUTWQSCBJYLS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

356.5
MW (Da)
3.93
ALogP
6
HBA
2
HBD
66.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N4OS2
MW 356.48
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.85

Activity Summary

IC50 1 meas. best 7.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.06 7.06 88.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 88.0 nM 7.06 Inhibition of VEGFR2 16789733

Literature References

PubMed DOI Target Context # Activities
16789733 10.1021/jm060347y L2987 1
16789733 10.1021/jm060347y HUVEC 1
16789733 10.1021/jm060347y Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine