Compound Detail
CHEMBL3613162
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Basic Information
| ChEMBL ID | CHEMBL3613162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBXJIQLJWDYRGA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
2.26
ALogP
6
HBA
1
HBD
83.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoacylglycerol lipase ABHD6 CHEMBL2189127 | IC50 | 7.14 | 7.135 | 73.0 | 2 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 5.1 | 5.1 | 7940.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoacylglycerol lipase ABHD6 | IC50 | = | 73.0 | nM | 7.14 | Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in gly... | 26344596 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 74.13 | nM | 7.13 | Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in gly... | 26344596 |
| Monoglyceride lipase | IC50 | = | 7943.28 | nM | 5.1 | Inhibition of human MAGL expressed in HEK293 cells pre-incubated for 10 mins bef... | 26344596 |
| Monoglyceride lipase | IC50 | = | 7940.0 | nM | 5.1 | Inhibition of human MAGL expressed in HEK293 cells pre-incubated for 10 mins bef... | 26344596 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26344596 | 10.1016/j.bmc.2015.08.030 | Monoglyceride lipase | 3 |
| 26344596 | 10.1016/j.bmc.2015.08.030 | Monoacylglycerol lipase ABHD6 | 3 |
| 26344596 | 10.1016/j.bmc.2015.08.030 | Fatty-acid amide hydrolase 1 | 2 |
| 26344596 | 10.1016/j.bmc.2015.08.030 | Lysophosphatidylserine lipase ABHD12 | 2 |
Data from ChEMBL 36 via Core Engine