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Compound Detail

CHEMBL259951

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CCc1nnc(-c2cn3ncnc(Nc4cnc5[nH]c(C)cc5c4)c3c2C(C)C)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL259951
Phase Preclinical
Structure Type MOL
InChI Key PIOUCPYCCSJSEY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
4.39
ALogP
8
HBA
2
HBD
109.8
PSA (Ų)
0.45
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 C21H22N8O
MW 402.46
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.47

Activity Summary

IC50 1 meas. best 7.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.44 7.44 36.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 36.0 nM 7.44 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

Data from ChEMBL 36 via Core Engine