Compound Detail
CHEMBL410676
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 | CHEMBL410676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJADFXIQDFOUAG-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
373.9
MW (Da)
5.59
ALogP
3
HBA
0
HBD
31.2
PSA (Ų)
0.65
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.52
EC50 1 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.52 | 8.52 | 3.0 | 3 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.04 | 7.04 | 92.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.3 | 6.295 | 501.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 3.02 | nM | 8.52 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 18311894 |
| Cannabinoid receptor 2 | Ki | = | 3.0 | nM | 8.52 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 18311894 |
| Cannabinoid receptor 2 | Ki | = | 3.02 | nM | 8.52 | Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK... | 21835510 |
| Cannabinoid receptor 2 | EC50 | = | 92.0 | nM | 7.04 | Agonist activity at human recombinant CB2 receptor expressed in HEK cells assess... | 18311894 |
| Cannabinoid receptor 1 | Ki | = | 501.19 | nM | 6.3 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HE... | 18311894 |
| Cannabinoid receptor 1 | Ki | = | 512.0 | nM | 6.29 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HE... | 18311894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18311894 | 10.1021/jm7011613 | Cannabinoid receptor 2 | 4 |
| 18311894 | 10.1021/jm7011613 | Cannabinoid receptor 1 | 2 |
| 18311894 | 10.1021/jm7011613 | Unchecked | 1 |
| 21835510 | 10.1016/j.ejmech.2011.07.023 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine