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

CHEMBL259996

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
Cc1cc2cc(Nc3ncnn4cc(OC[C@@H](C)O)c(C)c34)cnc2[nH]1

Basic Information

ChEMBL ID CHEMBL259996
Phase Preclinical
Structure Type MOL
InChI Key UFHZPQUCRBIJFF-LLVKDONJSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
2.73
ALogP
7
HBA
3
HBD
100.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N6O2
MW 352.40
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.95

Activity Summary

IC50 1 meas. best 6.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.65 6.65 223.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC - - Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 223.0 nM 6.65 Inhibition of human VEGFR2 18395443

Literature References

PubMed DOI Target Context # Activities
18395443 10.1016/j.bmcl.2008.03.057 Vascular endothelial growth factor receptor 2 1
18395443 10.1016/j.bmcl.2008.03.057 Mus musculus 1

Data from ChEMBL 36 via Core Engine