Compound Detail
CHEMBL3290053
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
CCCCCCC(C)(C)c1cc(OC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)O)C[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL3290053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAPXWHRSAVXKIB-NHCUHLMSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
6.54
ALogP
4
HBA
1
HBD
72.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.29 | 7.29 | 51.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.2 | 6.2 | 628.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 51.0 | nM | 7.29 | Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293T cell ... | 24856183 |
| Cannabinoid receptor 1 | Ki | = | 628.0 | nM | 6.2 | Displacement of [3H]-CP-55940 from human CB1 receptor expressed in HEK293T cell ... | 24856183 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24856183 | 10.1016/j.bmc.2014.04.062 | HL-60 | 3 |
| 24856183 | 10.1016/j.bmc.2014.04.062 | Mus musculus | 3 |
| 24856183 | 10.1016/j.bmc.2014.04.062 | Cannabinoid receptor 1 | 1 |
| 24856183 | 10.1016/j.bmc.2014.04.062 | Cannabinoid receptor 2 | 1 |
| 24856183 | 10.1016/j.bmc.2014.04.062 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine