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

CHEMBL464620

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
O=C(Nc1cccc(Cl)c1)c1nn[nH]c1NCc1ccncc1

Basic Information

ChEMBL ID CHEMBL464620
Phase Preclinical
Structure Type MOL
InChI Key IEPRETGMTYNEJR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.8
MW (Da)
2.72
ALogP
5
HBA
3
HBD
95.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13ClN6O
MW 328.76
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.91

Activity Summary

IC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 5000.0 nM 5.3 Inhibition of VEGFR2 by HTRF assay in presence of 2 uM ATP 19188066

Literature References

PubMed DOI Target Context # Activities
19188066 10.1016/j.bmcl.2009.01.046 Vascular endothelial growth factor receptor 2 2

Data from ChEMBL 36 via Core Engine