Compound Detail
CHEMBL3318314
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Basic Information
| ChEMBL ID | CHEMBL3318314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXZGSUTYKOYNIT-OAHLLOKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
2.21
ALogP
4
HBA
2
HBD
95.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL4191 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 m... | 25011912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25011912 | 10.1016/j.bmcl.2014.06.029 | Monoglyceride lipase | 7 |
| 25011912 | 10.1016/j.bmcl.2014.06.029 | Homo sapiens | 1 |
| 25011912 | 10.1016/j.bmcl.2014.06.029 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine