Compound Detail
CHEMBL1216000
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C=CCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccco3)ccc21
Basic Information
| ChEMBL ID | CHEMBL1216000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOZQCQPBSOEZBL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
5.54
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.36 | 8.36 | 4.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 4.4 | nM | 8.36 | Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells | 20718492 |
| Cannabinoid receptor 2 | Ki | = | 4.4 | nM | 8.36 | Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | 21183257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20718492 | 10.1021/jm100123x | Cannabinoid receptor 1 | 1 |
| 20718492 | 10.1021/jm100123x | Cannabinoid receptor 2 | 1 |
| 20718492 | 10.1021/jm100123x | Unchecked | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 1 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 2 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine