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Compound Detail

CHEMBL2315189

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COc1c2ccoc2c(/C=C/C(=O)OC(C)(C)C)c2oc(=O)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2315189
Phase Preclinical
Structure Type MOL
InChI Key OLKQUWUILNFGOW-SOFGYWHQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.90
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.41
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 C19H18O6
MW 342.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.92

Literature References

PubMed DOI Target Context # Activities
23291118 10.1016/j.ejmech.2012.11.043 Radical scavenging activity 2
23291118 10.1016/j.ejmech.2012.11.043 Rattus norvegicus 2
23291118 10.1016/j.ejmech.2012.11.043 No relevant target 1
23291118 10.1016/j.ejmech.2012.11.043 Unchecked 1

Data from ChEMBL 36 via Core Engine