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

CHEMBL252947

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
CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)C3CCCC3)cc1OC2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL252947
Phase Preclinical
Structure Type MOL
InChI Key KENIGRBQVUEUPI-RTBURBONSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

354.5
MW (Da)
6.47
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.62
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34O2
MW 354.53
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 1.69

Activity Summary

Ki 2 meas. best 9.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL218
 Ki 9.47 9.47 0.3 1
Cannabinoid receptor 2
CHEMBL253
 Ki 9.41 9.41 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 1 Ki = 0.34 nM 9.47 Binding affinity to CB1 receptor 17521177
Cannabinoid receptor 2 Ki = 0.39 nM 9.41 Binding affinity to CB2 receptor 17521177

Literature References

PubMed DOI Target Context # Activities
17521177 10.1021/jm0610705 Cannabinoid receptor 1 1
17521177 10.1021/jm0610705 Cannabinoid receptor 2 1

Data from ChEMBL 36 via Core Engine