Compound Detail
CHEMBL5274434
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CC(C)(C)OC(=O)N1CCN(C(=O)n2cc(-c3ccc(OC(F)(F)F)cc3)nn2)C(c2ccccc2)C1
Basic Information
| ChEMBL ID | CHEMBL5274434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCQNBNJCBIKELG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
517.5
MW (Da)
5.11
ALogP
7
HBA
0
HBD
89.8
PSA (Ų)
0.48
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoacylglycerol lipase ABHD6 CHEMBL2189127 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Monoacylglycerol lipase ABHD6 CHEMBL5010 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoacylglycerol lipase ABHD6 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human recombinant ABHD6 | 32371333 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of ABHD6 in mouse brain membrane using HT-01 probe as substrate incub... | 32371333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32371333 | 10.1016/j.ejmech.2020.112353 | Monoacylglycerol lipase ABHD6 | 2 |
Data from ChEMBL 36 via Core Engine