Compound Detail
CHEMBL220378
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Basic Information
| ChEMBL ID | CHEMBL220378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXSWBMADQKMLJU-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
353.3
MW (Da)
4.80
ALogP
4
HBA
0
HBD
60.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.46
IC50 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | Ki | 8.46 | 8.43 | 3.5 | 2 |
| Diacylglycerol lipase-alpha CHEMBL5545 | IC50 | 5.74 | 5.74 | 1819.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 3.5 | nM | 8.46 | Inhibition of FAAH | 21413808 |
| Fatty-acid amide hydrolase 1 | Ki | = | 4.0 | nM | 8.4 | Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamid... | 17279740 |
| Diacylglycerol lipase-alpha | IC50 | = | 1819.7 | nM | 5.74 | Inhibition of full-length human DAGLalpha expressed in HEK293T cell membranes us... | 26584396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17279740 | 10.1021/jm0611509 | Fatty-acid amide hydrolase 1 | 1 |
| 21413808 | 10.1021/jm1013693 | Fatty-acid amide hydrolase 1 | 1 |
| 26584396 | 10.1021/acs.jmedchem.5b01627 | Diacylglycerol lipase-alpha | 1 |
Data from ChEMBL 36 via Core Engine