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Compound Detail

CHEMBL592476

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CCOC(=O)c1cc2cc(-c3ccc(C)cc3)ccc2oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL592476
Phase Preclinical
Structure Type MOL
InChI Key VBLQMBRXQKUBEI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
3.95
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16O4
MW 308.33
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.52

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19932027 10.1016/j.bmc.2009.10.047 Unchecked 2
21138273 10.1021/jm101104z 11-beta-hydroxysteroid dehydrogenase 1 2
19932027 10.1016/j.bmc.2009.10.047 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine