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

CHEMBL248820

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(Oc2ccccc2)cc1)c1cccnc1Nc1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL248820
Phase Preclinical
Structure Type MOL
InChI Key KOQVUBWMVOBOPL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
6.01
ALogP
4
HBA
2
HBD
63.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18FN3O2
MW 399.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.48

Activity Summary

Ki 1 meas. best 6.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 6.87 6.87 135.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 Ki = 135.0 nM 6.87 Inhibition of phosphorylated-Kdr after 30 mins 17869515

Literature References

PubMed DOI Target Context # Activities
17869515 10.1016/j.bmcl.2007.07.077 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine