Compound Detail
CHEMBL58624
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Basic Information
| ChEMBL ID | CHEMBL58624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWXLHTWQEHZSAD-DOFZRALJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
5.67
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.22
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL4191 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 25000.0 | nM | 4.6 | Inhibitory concentration against monoacylglycerol lipase | 16078824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12781177 | 10.1016/s0960-894x(03)00348-2 | Cannabinoid receptor 1 | 2 |
| 12781177 | 10.1016/s0960-894x(03)00348-2 | Fatty-acid amide hydrolase 1 | 2 |
| 16078824 | 10.1021/jm058183t | Fatty-acid amide hydrolase 1 | 1 |
| 16078824 | 10.1021/jm058183t | Monoglyceride lipase | 1 |
Data from ChEMBL 36 via Core Engine