Compound Detail
CHEMBL462610
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Basic Information
| ChEMBL ID | CHEMBL462610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYTVZWJJIVBXBW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
458.8
MW (Da)
8.57
ALogP
4
HBA
0
HBD
48.4
PSA (Ų)
0.15
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL5774 | IC50 | 9.85 | 9.85 | 0.1 | 1 |
| Cannabinoid receptor 1 CHEMBL3037 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3455 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 0.14 | nM | 9.85 | Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain | 18752948 |
| Cannabinoid receptor 1 | IC50 | = | 14.0 | nM | 7.85 | Displacement of [3H]CP-55940 from CB1 receptor in mouse brain | 18752948 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 42.0 | nM | 7.38 | Inhibition of FAAH-mediated [3H]anandamide hydrolysis in mouse brain | 18752948 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18752948 | 10.1016/j.bmcl.2008.08.007 | Mus musculus | 6 |
| 18752948 | 10.1016/j.bmcl.2008.08.007 | Monoglyceride lipase | 1 |
| 18752948 | 10.1016/j.bmcl.2008.08.007 | Fatty-acid amide hydrolase 1 | 1 |
| 18752948 | 10.1016/j.bmcl.2008.08.007 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine