Compound Detail
CHEMBL4294988
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Basic Information
| ChEMBL ID | CHEMBL4294988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOUBZZSIRWDQQS-SLEBQGDGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
415.6
MW (Da)
7.31
ALogP
4
HBA
2
HBD
62.0
PSA (Ų)
0.16
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL4191 | IC50 | 4.28 | 4.28 | 53000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 53000.0 | nM | 4.28 | Inhibition of recombinant human C-terminal His-tagged MAGL expressed in Escheric... | 30144699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30144699 | 10.1016/j.ejmech.2018.08.038 | Monoglyceride lipase | 1 |
Data from ChEMBL 36 via Core Engine