Compound Detail
CHEMBL5618354
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O=C(N1CC2(CC(Cc3cn[nH]c3C(F)(F)F)C2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
Basic Information
| ChEMBL ID | CHEMBL5618354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFFZCLKOQQPASJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
475.5
MW (Da)
3.61
ALogP
5
HBA
1
HBD
82.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| 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 human MAGL using 2-arachidonoylglycerol as substrate assessed as r... | 39015277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39015277 | 10.1021/acsmedchemlett.4c00261 | Monoglyceride lipase | 1 |
Data from ChEMBL 36 via Core Engine