Compound Detail
CHEMBL2159798
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Basic Information
| ChEMBL ID | CHEMBL2159798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVBAWHRQKGZPEN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
2.22
ALogP
5
HBA
0
HBD
54.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL4191 | IC50 | 8.1 | 8.1 | 8.0 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human MAGL assessed as [3H]-2-OG hydrolysis preincubated for 30 mi... | 23036333 |
| Monoglyceride lipase | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 m... | 25011912 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of human recombinant FAAH assessed as [3H]-AEA hydrolysis preincubate... | 23036333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23036333 | 10.1016/j.bmc.2012.09.011 | Unchecked | 1 |
| 23036333 | 10.1016/j.bmc.2012.09.011 | Fatty-acid amide hydrolase 1 | 1 |
| 23036333 | 10.1016/j.bmc.2012.09.011 | Monoglyceride lipase | 1 |
| 25011912 | 10.1016/j.bmcl.2014.06.029 | Monoglyceride lipase | 1 |
Data from ChEMBL 36 via Core Engine