Compound Detail
CHEMBL381171
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Basic Information
| ChEMBL ID | CHEMBL381171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCGOPKFMCSVFLY-XWOKAZNOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.6
MW (Da)
6.25
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.18
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | EC50 | 4.8 | 4.8 | 15848.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | EC50 | = | 15848.93 | nM | 4.8 | Potency at CB1 receptor in rat brain by [35S]GTP-gamma-S binding assay | 16466915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16466915 | 10.1016/j.bmcl.2006.01.101 | Cannabinoid receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine