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

CHEMBL365178

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
CCOC(=O)c1cn2ncnc(Nc3cccc(C(=O)NOC)c3)c2c1C(C)C

Basic Information

ChEMBL ID CHEMBL365178
Phase Preclinical
Structure Type MOL
InChI Key LURXYGPJYWRADP-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
3.06
ALogP
8
HBA
2
HBD
106.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N5O4
MW 397.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.18

Activity Summary

IC50 2 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.89 6.89 130.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15943473 10.1021/jm0501275 Vascular endothelial growth factor receptor 2 1
17306530 10.1016/j.bmcl.2007.01.089 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine