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

CHEMBL1254924

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
Cn1ccc2ncnc(Oc3cccc(NC(=O)Nc4ccccc4)c3)c21

Basic Information

ChEMBL ID CHEMBL1254924
Phase Preclinical
Structure Type MOL
InChI Key DVGKLXKIGJWHSF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
4.40
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N5O2
MW 359.39
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.20

Activity Summary

IC50 1 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.75 5.75 1800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 1800.0 nM 5.75 Inhibition of human VEGFR2 20833055

Literature References

PubMed DOI Target Context # Activities
20833055 10.1016/j.bmc.2010.08.017 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine