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

CHEMBL2348992

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
CCc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1NC(=O)c1cc(C)nn1C

Basic Information

ChEMBL ID CHEMBL2348992
Phase Preclinical
Structure Type MOL
InChI Key RAGKGYPCRVQZIW-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

459.5
MW (Da)
3.73
ALogP
8
HBA
2
HBD
115.4
PSA (Ų)
0.44
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 C24H25N7O3
MW 459.51
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -2.06

Activity Summary

IC50 2 meas. best 8.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 8.29 8.29 5.1 1
HUVEC
CHEMBL613979
IC50 7.03 7.03 93.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23498918 10.1016/j.bmc.2013.01.074 HUVEC 1
23498918 10.1016/j.bmc.2013.01.074 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine