Compound Detail
CHEMBL1615314
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Basic Information
| ChEMBL ID | CHEMBL1615314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IABLYMUVWHQTGC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
3.31
ALogP
7
HBA
0
HBD
78.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL4191 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 10.0 | nM | 8.0 | Reversible inhibition of wild type human MAGL using 4-methylumbelliferyl butyrat... | 32527545 |
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Reversible inhibition of human MAGL L179S/L186S mutant using 4-methylumbellifery... | 32334914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25011912 | 10.1016/j.bmcl.2014.06.029 | Monoglyceride lipase | 1 |
| 32527545 | 10.1016/j.bmcl.2020.127243 | Monoglyceride lipase | 1 |
| 32334914 | 10.1016/j.bmcl.2020.127198 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine