Compound Detail
CHEMBL3613161
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Basic Information
| ChEMBL ID | CHEMBL3613161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIWWJOCCTQXUNF-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
313.3
MW (Da)
2.59
ALogP
7
HBA
0
HBD
100.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoacylglycerol lipase ABHD6 CHEMBL2189127 | IC50 | 6.89 | 6.885 | 130.0 | 2 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 5.49 | 5.485 | 3235.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoacylglycerol lipase ABHD6 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in gly... | 26344596 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 131.83 | nM | 6.88 | Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in gly... | 26344596 |
| Monoglyceride lipase | IC50 | = | 3235.94 | nM | 5.49 | Inhibition of human MAGL expressed in HEK293 cells pre-incubated for 10 mins bef... | 26344596 |
| Monoglyceride lipase | IC50 | = | 3310.0 | nM | 5.48 | 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 | 2 |
| 26344596 | 10.1016/j.bmc.2015.08.030 | Monoacylglycerol lipase ABHD6 | 2 |
| 26344596 | 10.1016/j.bmc.2015.08.030 | Lysophosphatidylserine lipase ABHD12 | 1 |
| 26344596 | 10.1016/j.bmc.2015.08.030 | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine