Compound Detail
CHEMBL460316
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Basic Information
| ChEMBL ID | CHEMBL460316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOLGPHAVLXMSGU-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
5.72
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.06
Ki 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 7.19 | 7.19 | 65.0 | 1 |
| Diacylglycerol lipase-alpha CHEMBL5545 | IC50 | 5.06 | 5.06 | 8709.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 65.0 | nM | 7.19 | Inhibition of rat FAAH | 18639454 |
| Diacylglycerol lipase-alpha | IC50 | = | 8709.64 | nM | 5.06 | Inhibition of full-length human DAGLalpha expressed in HEK293T cell membranes us... | 26584396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18639454 | 10.1016/j.bmcl.2008.06.084 | Fatty-acid amide hydrolase 1 | 1 |
| 26584396 | 10.1021/acs.jmedchem.5b01627 | Diacylglycerol lipase-alpha | 1 |
Data from ChEMBL 36 via Core Engine