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Compound Detail

CHEMBL195640

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COc1ccc(-c2oc3ncnc(N)c3c2-c2cccc(NC(C)=O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL195640
Phase Preclinical
Structure Type MOL
InChI Key JLNOPXIXBUGAQJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
4.11
ALogP
6
HBA
2
HBD
103.3
PSA (Ų)
0.56
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 C21H18N4O3
MW 374.40
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.70

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

Data from ChEMBL 36 via Core Engine