Compound Detail
CHEMBL3402819
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O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
Basic Information
| ChEMBL ID | CHEMBL3402819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZDXESWSPLDXKU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
504.9
MW (Da)
6.36
ALogP
3
HBA
0
HBD
42.4
PSA (Ų)
0.42
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL4191 | IC50 | 6.19 | 6.19 | 645.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 645.65 | nM | 6.19 | Inhibition of human recombinant MAGL using 2-arachidonoylglycerol substrate asse... | 25752982 |
| Monoglyceride lipase | IC50 | = | 645.0 | nM | 6.19 | Inhibition of human recombinant MAGL using 2-arachidonoylglycerol substrate asse... | 25752982 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25752982 | 10.1016/j.bmcl.2015.02.037 | Monoglyceride lipase | 2 |
| 25752982 | 10.1016/j.bmcl.2015.02.037 | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine