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

CHEMBL109692

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
CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C(=O)O)cc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL109692
Phase Preclinical
Structure Type MOL
InChI Key RUDAUXBQLBAKOW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
5.12
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.74
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H24O4
MW 340.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.19

Activity Summary

Ki 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL3571
 Ki 6.22 6.22 602.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 1 Ki = 602.4 nM 6.22 Binding affinity for Cannabinoid receptor 1 using African green monkey (COS-7) c... 9379442

Literature References

PubMed DOI Target Context # Activities
9379442 10.1021/jm970126f Cannabinoid receptor 1 3
9379442 10.1021/jm970126f Cannabinoid receptor 2 2

Data from ChEMBL 36 via Core Engine