Compound Detail
CHEMBL499569
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Basic Information
| ChEMBL ID | CHEMBL499569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMRWGKIZOBXNRB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
196.3
MW (Da)
2.65
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3455 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
| Monoglyceride lipase CHEMBL5774 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3037 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 1.9 | nM | 8.72 | Inhibition of FAAH-mediated [3H]anandamide hydrolysis in mouse brain | 18752948 |
| Monoglyceride lipase | IC50 | = | 140.0 | nM | 6.85 | Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain | 18752948 |
| Cannabinoid receptor 1 | IC50 | = | 1300.0 | nM | 5.89 | Displacement of [3H]CP-55940 from CB1 receptor 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