Compound Detail
CHEMBL4437021
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O=C(N1CCCC[C@@H]1Cc1ccccc1)n1cc(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)nn1
Basic Information
| ChEMBL ID | CHEMBL4437021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFWGNUHJRKVYAB-RUZDIDTESA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
488.5
MW (Da)
4.91
ALogP
5
HBA
1
HBD
71.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.42
Ki 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol lipase-alpha CHEMBL5180 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| Diacylglycerol lipase-alpha CHEMBL5180 | Ki | 6.47 | 6.47 | 339.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol lipase-alpha | IC50 | = | 3.802 | nM | 8.42 | Inhibition of mouse DAGL-alpha expressed in HEK293T cell membranes pre-incubated... | 31437392 |
| Diacylglycerol lipase-alpha | Ki | = | 339.0 | nM | 6.47 | Inhibition of mouse DAGL-alpha expressed in HEK293T cell membranes assessed as i... | 31437392 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31437392 | 10.1021/acs.jmedchem.9b00686 | Diacylglycerol lipase-alpha | 3 |
| 31437392 | 10.1021/acs.jmedchem.9b00686 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine