Compound Detail
CHEMBL371831
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Basic Information
| ChEMBL ID | CHEMBL371831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHIDQCCQFGXPGP-DOFZRALJSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.6
MW (Da)
7.55
ALogP
4
HBA
0
HBD
56.0
PSA (Ų)
0.17
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.0
IC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Diacylglycerol lipase-alpha CHEMBL5545 | IC50 | 5.62 | 5.62 | 2398.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 1.0 | nM | 9.0 | Binding affinity for fatty acid amide hydrolase | 16078824 |
| Fatty-acid amide hydrolase 1 | Ki | = | 1.0 | nM | 9.0 | Inhibition of rat FAAH | 18053726 |
| Diacylglycerol lipase-alpha | IC50 | = | 2398.83 | nM | 5.62 | Inhibition of full-length human DAGLalpha expressed in HEK293T cell membranes us... | 26584396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16078824 | 10.1021/jm058183t | Fatty-acid amide hydrolase 1 | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Fatty-acid amide hydrolase 1 | 1 |
| 26584396 | 10.1021/acs.jmedchem.5b01627 | Diacylglycerol lipase-alpha | 1 |
Data from ChEMBL 36 via Core Engine