Compound Detail
CHEMBL1922513
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Basic Information
| ChEMBL ID | CHEMBL1922513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVGPLHUTLSZSGX-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
263.4
MW (Da)
4.42
ALogP
3
HBA
0
HBD
22.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL3321 | IC50 | 7.7 | 7.3867 | 20.0 | 3 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 6.18 | 5.98 | 660.0 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 4.45 | 4.45 | 35200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of recombinant rat N-terminal histidine tagged MAGL expressed in Esch... | 27766867 |
| Monoglyceride lipase | IC50 | = | 59.0 | nM | 7.23 | Inhibition of rat recombinant N-terminal his-tagged MAGL expressed in Escherichi... | 22056744 |
| Monoglyceride lipase | IC50 | = | 59.0 | nM | 7.23 | Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylgl... | 31714779 |
| Monoglyceride lipase | IC50 | = | 660.0 | nM | 6.18 | Inhibition of human recombinant MAGL assessed as inhibition of 2-oleoylglycerol ... | 22056744 |
| Monoglyceride lipase | IC50 | = | 1660.0 | nM | 5.78 | Inhibition of human recombinant MAGL assessed as [3H]oleoylglycerol hydrolysis a... | 22056744 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 35200.0 | nM | 4.45 | Inhibition of human recombinant FAAH assessed as conversion of [3H]AEA to [3H]et... | 22056744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27073054 | 10.1016/j.bmc.2016.03.060 | Staphylococcus aureus | 35 |
| 22056744 | 10.1016/j.bmcl.2011.10.026 | Monoglyceride lipase | 12 |
| 22056744 | 10.1016/j.bmcl.2011.10.026 | Unchecked | 3 |
| 27073054 | 10.1016/j.bmc.2016.03.060 | Staphylococcus epidermidis | 2 |
| 27073054 | 10.1016/j.bmc.2016.03.060 | Enterococcus faecalis | 2 |
| 27073054 | 10.1016/j.bmc.2016.03.060 | Mus musculus | 2 |
| 22056744 | 10.1016/j.bmcl.2011.10.026 | Fatty-acid amide hydrolase 1 | 1 |
| 27073054 | 10.1016/j.bmc.2016.03.060 | Enterococcus faecium | 1 |
| 27073054 | 10.1016/j.bmc.2016.03.060 | Enterococcus | 1 |
| 27073054 | 10.1016/j.bmc.2016.03.060 | Listeria monocytogenes | 1 |
| 27073054 | 10.1016/j.bmc.2016.03.060 | Mycolicibacterium smegmatis | 1 |
| 27073054 | 10.1016/j.bmc.2016.03.060 | NON-PROTEIN TARGET | 1 |
| 27073054 | 10.1016/j.bmc.2016.03.060 | Unchecked | 1 |
| 27766867 | 10.1021/acs.jmedchem.6b00538 | Monoglyceride lipase | 1 |
| 31714779 | 10.1021/acs.jmedchem.9b01679 | Monoglyceride lipase | 1 |
Data from ChEMBL 36 via Core Engine