Compound Detail
CHEMBL561924
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Basic Information
| ChEMBL ID | CHEMBL561924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZNZRHSGGQUYAP-DOFZRALJSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
369.6
MW (Da)
6.06
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.20
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL3321 | IC50 | 6.85 | 6.85 | 140.0 | 3 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 6.85 | 6.075 | 140.0 | 4 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 5.66 | 5.66 | 2180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 140.0 | nM | 6.85 | Inhibition of human recombinant MGL by liquid scintillation counting | 19232787 |
| Monoglyceride lipase | IC50 | = | 140.0 | nM | 6.85 | Inhibition of MAGL in rat cerebellar membranes | 23455058 |
| Monoglyceride lipase | IC50 | = | 140.0 | nM | 6.85 | Inhibition of MAGL from Wistar rat brain membranes using 2-AG as substrate after... | 29309142 |
| Monoglyceride lipase | IC50 | = | 140.0 | nM | 6.85 | Inhibition of rat cerebellar membranes MAGL-like activity preincubated for 30 mi... | 27766867 |
| Monoglyceride lipase | IC50 | = | 1120.0 | nM | 5.95 | Inhibition of human MGL | 19583260 |
| Monoglyceride lipase | IC50 | = | 1120.0 | nM | 5.95 | Inhibition of human cerebellar membranes MAGL-like activity preincubated for 30 ... | 27766867 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 2180.0 | nM | 5.66 | Inhibition of human FAAH | 19583260 |
| Monoglyceride lipase | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of human MAGL expressed in Escherichia coli using 6-methoxy-4-methylc... | 23455058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23455058 | 10.1016/j.ejmech.2013.01.050 | Monoglyceride lipase | 3 |
| 19583260 | 10.1021/jm900461w | Monoglyceride lipase | 2 |
| 23455058 | 10.1016/j.ejmech.2013.01.050 | Fatty-acid amide hydrolase 1 | 2 |
| 27766867 | 10.1021/acs.jmedchem.6b00538 | Monoglyceride lipase | 2 |
| 19232787 | 10.1016/j.ejmech.2009.01.007 | Monoglyceride lipase | 1 |
| 19583260 | 10.1021/jm900461w | Unchecked | 1 |
| 19583260 | 10.1021/jm900461w | Fatty-acid amide hydrolase 1 | 1 |
| 29309142 | 10.1021/acs.jmedchem.7b01845 | Monoglyceride lipase | 1 |
Data from ChEMBL 36 via Core Engine