Compound Detail
CHEMBL498297
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
Basic Information
| ChEMBL ID | CHEMBL498297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXZCMVGUABCQHB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
471.4
MW (Da)
5.65
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.84 | 7.84 | 14.3 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.0 | 6.0 | 996.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 14.3 | nM | 7.84 | Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells | 18680276 |
| Cannabinoid receptor 2 | Ki | = | 14.3 | nM | 7.84 | Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | 21183257 |
| Cannabinoid receptor 1 | Ki | = | 996.0 | nM | 6.0 | Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells | 18680276 |
| Cannabinoid receptor 1 | Ki | = | 996.0 | nM | 6.0 | Displacement of [3H]CP 55940 from human CB1 receptor in cell free system | 21183257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18680276 | 10.1021/jm800552f | Cannabinoid receptor 1 | 1 |
| 18680276 | 10.1021/jm800552f | Cannabinoid receptor 2 | 1 |
| 18680276 | 10.1021/jm800552f | 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