Compound Detail
CHEMBL478228
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Basic Information
| ChEMBL ID | CHEMBL478228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMBJQJBQELVJHE-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.26
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.07
IC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.07 | 7.07 | 86.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.6 | 5.6 | 2530.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 4.77 | 4.77 | 17100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 86.0 | nM | 7.07 | Agonist activity at human CB2-receptor expressed in CHO-K1 cells coexpressing G-... | 32904145 |
| Unchecked | IC50 | = | 2530.0 | nM | 5.6 | Inhibition of NOS in Sprague-Dawley rat brain by oxyhaemoglobin assay | 18805011 |
| Cannabinoid receptor 1 | EC50 | = | 17100.0 | nM | 4.77 | Agonist activity at human CB1-receptor expressed in CHO-K1 cells coexpressing G-... | 32904145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32904145 | 10.1039/C9MD00411D | Cannabinoid receptor 1 | 5 |
| 32904145 | 10.1039/C9MD00411D | Cannabinoid receptor 2 | 5 |
| 21665485 | 10.1016/j.bmc.2011.05.034 | Radical scavenging activity | 4 |
| 21665485 | 10.1016/j.bmc.2011.05.034 | NON-PROTEIN TARGET | 4 |
| 32904145 | 10.1039/C9MD00411D | No relevant target | 4 |
| 18805011 | 10.1016/j.bmc.2008.08.049 | Unchecked | 2 |
| 21665485 | 10.1016/j.bmc.2011.05.034 | Unchecked | 2 |
| 21868136 | 10.1016/j.ejmech.2011.08.008 | Unchecked | 2 |
| 34825187 | 10.1039/D1MD00065A | KNS-42 | 2 |
| 21868136 | 10.1016/j.ejmech.2011.08.008 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine