Compound Detail
CHEMBL284710
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Basic Information
| ChEMBL ID | CHEMBL284710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDBOTXIRNSWBCG-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
450.8
MW (Da)
6.73
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.52
EC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 8.52 | 8.21 | 3.0 | 3 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.96 | 5.96 | 1110.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 5.28 | 5.28 | 5270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 3.0 | nM | 8.52 | Inhibition of [3H]CP-55940 binding to cannabinoid receptor 1 in rat brain membra... | 11906286 |
| Cannabinoid receptor 1 | Ki | = | 6.83 | nM | 8.17 | Binding affinity in a competition assay by displacement of [3H]- SR-141716 from ... | 12061874 |
| Cannabinoid receptor 1 | Ki | = | 11.4 | nM | 7.94 | Binding affinity in a competition assay by displacement of [3H]CP-55940 from Can... | 12061874 |
| Cannabinoid receptor 2 | Ki | = | 1110.0 | nM | 5.96 | Binding affinity at cannabinoid receptor 2 in a competition assay with [3H]CP-55... | 12061874 |
| Rattus norvegicus | EC50 | = | 5270.0 | nM | 5.28 | The effective concentration using [35S]GTP-gamma-S binding assay in rat membrane... | 12061874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12061874 | 10.1021/jm010498v | Cannabinoid receptor 1 | 2 |
| 12061874 | 10.1021/jm010498v | Rattus norvegicus | 2 |
| 12061874 | 10.1021/jm010498v | Cannabinoid receptor 2 | 1 |
| 12061874 | 10.1021/jm010498v | Unchecked | 1 |
| 12061874 | 10.1021/jm010498v | Cannabinoid receptor | 1 |
| 11906286 | 10.1021/jm010267o | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine