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

CHEMBL382478

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(Nc1ccc(-c2ccccc2)cc1)c1ccccc1Cn1ccc2ncnc-2c1

Basic Information

ChEMBL ID CHEMBL382478
Phase Preclinical
Structure Type MOL
InChI Key OUQQBBFWSIIIEM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
5.35
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20N4O
MW 404.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.23

Activity Summary

IC50 2 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.16 6.16 690.0 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 5.94 5.94 1140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16364640 10.1016/j.bmcl.2005.11.105 Vascular endothelial growth factor receptor 2 1
16364640 10.1016/j.bmcl.2005.11.105 Vascular endothelial growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine