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Compound Detail

CHEMBL472634

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Cc1cc2cc(Cl)cc(Br)c2oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL472634
Phase Preclinical
Structure Type MOL
InChI Key SITHDQSYVFDQJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

273.5
MW (Da)
3.52
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H6BrClO2
MW 273.51
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
23679955 10.1021/jm4005175 G-protein coupled receptor 55 3
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