Compound Detail
CHEMBL3613671
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Basic Information
| ChEMBL ID | CHEMBL3613671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKSHMJCYWFOADB-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
2.92
ALogP
7
HBA
0
HBD
67.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoacylglycerol lipase ABHD6 CHEMBL2189127 | IC50 | 7.36 | 7.1517 | 43.6 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoacylglycerol lipase ABHD6 | IC50 | = | 43.65 | nM | 7.36 | Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in gly... | 26344596 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 44.0 | nM | 7.36 | Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in gly... | 26344596 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 87.1 | nM | 7.06 | Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10... | 26344596 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 87.1 | nM | 7.06 | Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10... | 26344596 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 91.2 | nM | 7.04 | Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10... | 26344596 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 93.33 | nM | 7.03 | Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10... | 26344596 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26344596 | 10.1016/j.bmc.2015.08.030 | Monoacylglycerol lipase ABHD6 | 6 |
| 26344596 | 10.1016/j.bmc.2015.08.030 | Monoglyceride lipase | 1 |
| 26344596 | 10.1016/j.bmc.2015.08.030 | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine