Compound Detail
CHEMBL404457
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Basic Information
| ChEMBL ID | CHEMBL404457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTSLDTODTZFOKM-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
2.18
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.9
Ki 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 6.9 | 6.9 | 125.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 125.0 | nM | 6.9 | Agonist activity at human cloned CB2 receptor by [35S]GTP-gamma-S binding assay | 18430570 |
| Cannabinoid receptor 2 | Ki | = | 180.0 | nM | 6.75 | Displacement of [3H]CP-55940 from human cloned CB2 receptor | 18430570 |
| Cannabinoid receptor 1 | Ki | = | 1300.0 | nM | 5.89 | Displacement of [3H]CP-55940 from human cloned CB1 receptor | 18430570 |
| Cannabinoid receptor 1 | EC50 | = | 2400.0 | nM | 5.62 | Agonist activity at human cloned CB1 receptor by [35S]GTPgammaS binding assay | 18430570 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18430570 | 10.1016/j.bmcl.2008.04.006 | Cannabinoid receptor 1 | 2 |
| 18430570 | 10.1016/j.bmcl.2008.04.006 | Cannabinoid receptor 2 | 2 |
| 18430570 | 10.1016/j.bmcl.2008.04.006 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine