Compound Detail
CHEMBL5575673
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O=C1[C@H](c2cccc(F)c2)[C@@H](c2ccc3c(c2)OCO3)N1C1CCN(C(=O)n2nnc3ccccc32)CC1
Basic Information
| ChEMBL ID | CHEMBL5575673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYBYLXKHKPMAIL-CLJLJLNGSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
513.5
MW (Da)
4.10
ALogP
7
HBA
0
HBD
89.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL5774 | IC50 | 10.31 | 10.31 | 0.0 | 1 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 10.3 | 9.19 | 0.1 | 2 |
| Monoglyceride lipase CHEMBL3321 | IC50 | 6.23 | 6.23 | 592.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 0.049 | nM | 10.31 | Inhibition of mouse MAGL using arachidonic acid as substrate preincubated with c... | 38241614 |
| Monoglyceride lipase | IC50 | = | 0.05 | nM | 10.3 | Inhibition of human MAGL | 38241614 |
| Monoglyceride lipase | IC50 | = | 8.4 | nM | 8.08 | Inhibition of human recombinant MAGL (1 to 303 residues) expressed in human HeLa... | 38241614 |
| Monoglyceride lipase | IC50 | = | 592.3 | nM | 6.23 | Inhibition of rat MAGL expressed in human HeLa cells using 2-arachidonoylglycero... | 38241614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38241614 | 10.1021/acs.jmedchem.3c01278 | Monoglyceride lipase | 4 |
Data from ChEMBL 36 via Core Engine