Compound Detail
CHEMBL4642828
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O=C(c1ccc(-c2ccc(C(F)(F)F)s2)cc1)N1CC(N2CC(N3Cc4ccccc4C3=O)C2)C1
Basic Information
| ChEMBL ID | CHEMBL4642828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MULBVLQEOVAYOP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
4.60
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 15.0 | nM | 7.82 | Reversible inhibition of human MAGL L179S/L186S mutant using 4-methylumbellifery... | 32334914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32334914 | 10.1016/j.bmcl.2020.127198 | Monoglyceride lipase | 2 |
| 32334914 | 10.1016/j.bmcl.2020.127198 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine