Compound Detail
CHEMBL4448448
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Basic Information
| ChEMBL ID | CHEMBL4448448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOEREALBZOBQRI-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
3.79
ALogP
8
HBA
2
HBD
68.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL3321 | IC50 | 7.78 | 6.87 | 16.8 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 16.8 | nM | 7.78 | Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylgl... | 31714779 |
| Monoglyceride lipase | IC50 | = | 82.7 | nM | 7.08 | Inhibition of recombinant rat MGL C208A mutant expressed in human HeLa cells usi... | 31714779 |
| Monoglyceride lipase | IC50 | = | 114.3 | nM | 6.94 | Inhibition of recombinant rat MGL C201A mutant expressed in human HeLa cells usi... | 31714779 |
| Monoglyceride lipase | IC50 | = | 2079.6 | nM | 5.68 | Inhibition of recombinant rat MGL C201A/C208A mutant expressed in human HeLa cel... | 31714779 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31714779 | 10.1021/acs.jmedchem.9b01679 | Monoglyceride lipase | 4 |
Data from ChEMBL 36 via Core Engine