Compound Detail
CHEMBL181088
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Basic Information
| ChEMBL ID | CHEMBL181088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALQIYEHKHMRAOK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.9
MW (Da)
6.52
ALogP
3
HBA
0
HBD
45.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 7.17 | 6.09 | 67.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 67.0 | nM | 7.17 | Maximal response (3000 nM) at human cannabinoid receptor 1 (hCB1) | 15664830 |
| Cannabinoid receptor 1 | IC50 | = | 2800.0 | nM | 5.55 | Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1) | 15664830 |
| Cannabinoid receptor 1 | IC50 | = | 2818.38 | nM | 5.55 | Antagonist activity against human recombinant cannabinoid-1 receptor | 19406638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664830 | 10.1016/j.bmcl.2004.11.031 | Cannabinoid receptor 1 | 2 |
| 19406638 | 10.1016/j.bmcl.2009.04.037 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine