Compound Detail
CHEMBL464186
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Basic Information
| ChEMBL ID | CHEMBL464186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUEXPZSBWJEDSZ-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
3.82
ALogP
4
HBA
0
HBD
56.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.52
IC50 1 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | Ki | 9.52 | 9.52 | 0.3 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 9.52 | 9.52 | 0.3 | 1 |
| Diacylglycerol lipase-alpha CHEMBL5545 | IC50 | 6.69 | 6.69 | 204.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 0.3 | nM | 9.52 | Inhibition of FAAH | 18983142 |
| Fatty-acid amide hydrolase 1 | Ki | = | 0.3 | nM | 9.52 | Inhibition of FAAH | 21764305 |
| Fatty-acid amide hydrolase 1 | Ki | = | 0.3 | nM | 9.52 | Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to olei... | 27766867 |
| Diacylglycerol lipase-alpha | IC50 | = | 204.17 | nM | 6.69 | Inhibition of full-length human DAGLalpha expressed in HEK293T cell membranes us... | 26584396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18983142 | 10.1021/jm800311k | Fatty-acid amide hydrolase 1 | 1 |
| 21764305 | 10.1016/j.bmcl.2011.06.096 | Fatty-acid amide hydrolase 1 | 1 |
| 26584396 | 10.1021/acs.jmedchem.5b01627 | Diacylglycerol lipase-alpha | 1 |
| 27766867 | 10.1021/acs.jmedchem.6b00538 | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine