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Compound Detail

CHEMBL65475

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CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@H](CO)CC21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL65475
Phase Preclinical
Structure Type MOL
InChI Key MVEVPDCVOXJVBD-JVPALSCHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.6
MW (Da)
6.30
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.54
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 C25H40O3
MW 388.59
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 1.67

Activity Summary

Ki 1 meas. best 9.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor
CHEMBL2111385
 Ki 9.72 9.72 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor Ki = 0.19 nM 9.72 Compound was evaluated for the competitive inhibition of [3H]3-(1,1-Dimethyl-hep... 1317925

Literature References

PubMed DOI Target Context # Activities
1317925 10.1021/jm00089a018 Cannabinoid receptor 1

Data from ChEMBL 36 via Core Engine