Compound Detail
CHEMBL597699
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Basic Information
| ChEMBL ID | CHEMBL597699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCSRDWUUZPIFLH-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
3.46
ALogP
6
HBA
0
HBD
88.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL5774 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Monoacylglycerol lipase ABHD6 CHEMBL5010 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
| Patatin-like phospholipase domain-containing protein 6 CHEMBL3259506 | IC50 | 6.04 | 6.04 | 910.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3455 | IC50 | 5.98 | 5.98 | 1040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 80.0 | nM | 7.1 | Inhibition of MAGL in mouse brain membrane | 20099888 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 490.0 | nM | 6.31 | Inhibition of ABHD6 in mouse brain membrane | 20099888 |
| Patatin-like phospholipase domain-containing protein 6 | IC50 | = | 910.0 | nM | 6.04 | Inhibition of NTE in mouse brain membrane | 20099888 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 1040.0 | nM | 5.98 | Inhibition of FAAH in mouse brain membrane | 20099888 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20099888 | 10.1021/jm9016976 | Fatty-acid amide hydrolase 1 | 1 |
| 20099888 | 10.1021/jm9016976 | Monoglyceride lipase | 1 |
| 20099888 | 10.1021/jm9016976 | Monoacylglycerol lipase ABHD6 | 1 |
| 20099888 | 10.1021/jm9016976 | Patatin-like phospholipase domain-containing protein 6 | 1 |
Data from ChEMBL 36 via Core Engine