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Compound Detail

CHEMBL453459

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COc1ccc(Br)c2c1C=C(C(C)=O)C(C)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL453459
Phase Preclinical
Structure Type MOL
InChI Key GKSOYHKQOWLPIY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

297.1
MW (Da)
3.21
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13BrO3
MW 297.15
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.70

Literature References

PubMed DOI Target Context # Activities
19278853 10.1016/j.bmc.2009.02.027 Cannabinoid receptor 2 2
19278853 10.1016/j.bmc.2009.02.027 Cannabinoid receptor 1 2

Data from ChEMBL 36 via Core Engine