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Compound Detail

CHEMBL386939

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COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OC(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL386939
Phase Preclinical
Structure Type MOL
InChI Key BPSWRVXHMCJRDA-STZFKDTASA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

456.4
MW (Da)
4.42
ALogP
6
HBA
1
HBD
105.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20N2O6
MW 456.45
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.74

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16982193 10.1016/j.bmcl.2006.08.061 Integrin alpha-V/beta-3 1

Data from ChEMBL 36 via Core Engine