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

CHEMBL374206

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
Nc1ccc(-c2nsc3ncnc(N)c23)cc1

Basic Information

ChEMBL ID CHEMBL374206
Phase Preclinical
Structure Type MOL
InChI Key WBEPTQIHBZWSGZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

243.3
MW (Da)
1.92
ALogP
6
HBA
2
HBD
90.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H9N5S
MW 243.29
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 4.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 4.34 4.34 46000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 46000.0 nM 4.34 Inhibition of KDR 16735117

Literature References

PubMed DOI Target Context # Activities
16735117 10.1016/j.bmcl.2006.05.057 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine