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Compound Detail

CHEMBL383603

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COc1ccc(-c2c(-c3cccc(C(=O)N(C)C)c3)oc3ncnc(N)c23)cc1

Basic Information

ChEMBL ID CHEMBL383603
Phase Preclinical
Structure Type MOL
InChI Key HUVKBLUWZYBWJL-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
3.85
ALogP
6
HBA
1
HBD
94.5
PSA (Ų)
0.57
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 C22H20N4O3
MW 388.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.77

Activity Summary

IC50 2 meas. best 5.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiopoietin-1 receptor
CHEMBL4128
IC50 5.83 5.83 1479.1 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15837294 10.1016/j.bmcl.2005.03.034 Angiopoietin-1 receptor 1
15837294 10.1016/j.bmcl.2005.03.034 Vascular endothelial growth factor receptor 2 1
17293140 10.1016/j.jmgm.2006.12.001 Angiopoietin-1 receptor 1

Data from ChEMBL 36 via Core Engine