Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL122268

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(C(=O)OC)cc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL122268
Phase Preclinical
Structure Type MOL
InChI Key HYKNQHOOVGEYON-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
5.85
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.65
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28O3
MW 352.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.36

Activity Summary

Ki 1 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 2
CHEMBL253
 Ki 6.21 6.21 611.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 2 Ki = 611.0 nM 6.21 Binding affinity was determined for Cannabinoid receptor 2 11020293

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