Compound Detail
CHEMBL4749516
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O=C1CO[C@H]2CCN(C(=O)N3CC(c4ccc(-c5ccccc5OC(F)(F)F)cc4)C3)C[C@H]2N1
Basic Information
| ChEMBL ID | CHEMBL4749516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFXKXGCFARKNBZ-CTNGQTDRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
475.5
MW (Da)
3.36
ALogP
4
HBA
1
HBD
71.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL4191 | IC50 | 10.52 | 10.52 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 0.03 | nM | 10.52 | Inhibition of MAGL (unknown origin) using 2-AG as substrate incubated for 15 min... | 33738048 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33738048 | 10.1021/acsmedchemlett.1c00055 | Monoglyceride lipase | 1 |
Data from ChEMBL 36 via Core Engine