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Compound Detail

CHEMBL147138

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COc1cc2ncnc(Nc3ccc(Cl)cc3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL147138
Phase Preclinical
Structure Type MOL
InChI Key LHGGYEWCVWOGFX-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

315.8
MW (Da)
4.04
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.79
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 C16H14ClN3O2
MW 315.76
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.04

Activity Summary

IC50 3 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.1 6.1 800.0 2
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21306896 10.1016/j.bmcl.2011.01.037 Vascular endothelial growth factor receptor 2 2
10639280 10.1021/jm990345w Vascular endothelial growth factor receptor 1 1
10639280 10.1021/jm990345w Vascular endothelial growth factor receptor 2 1
10639280 10.1021/jm990345w Fibroblast growth factor receptor 1 1
10639280 10.1021/jm990345w Unchecked 1
10639280 10.1021/jm990345w VEGF-receptor 2 and Fibroblast growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine