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Compound Detail

CHEMBL3809355

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CCCCCCC(C)(C)c1cc(O)c(C2CCCCC2)c(O)c1

Basic Information

ChEMBL ID CHEMBL3809355
Phase Preclinical
Structure Type MOL
InChI Key UJVPRUIRHMYRRV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.5
MW (Da)
6.39
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.57
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H34O2
MW 318.50
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.53

Activity Summary

Ki 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL218
Ki 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27096053 10.1021/acsmedchemlett.6b00009 Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine