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Compound Detail

CHEMBL442211

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CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1ccc(C(=O)OCc3ccccc3)cc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL442211
Phase Preclinical
Structure Type MOL
InChI Key KUQRKDBYIGIDFZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

500.7
MW (Da)
8.59
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H40O4
MW 500.68
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness 0.44

Literature References

PubMed DOI Target Context # Activities
11020293 10.1021/jm0001572 Cannabinoid receptor 1 1
11020293 10.1021/jm0001572 Cannabinoid receptor 2 1
11020293 10.1021/jm0001572 Cannabinoid receptor 1

Data from ChEMBL 36 via Core Engine