Compound Detail
CHEMBL174397
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Basic Information
| ChEMBL ID | CHEMBL174397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFSWYEYBMPLGTD-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
408.6
MW (Da)
7.40
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
IC50 2 meas. best 7.7
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Liver carboxylesterase 1 CHEMBL2265 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 10.0 | nM | 8.0 | Inhibitory constant determined against recombinant Fatty-acid amide hydrolase fr... | 15771430 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 20.0 | nM | 7.7 | Inhibitory concentration against Fatty-acid amide hydrolase | 15771430 |
| Liver carboxylesterase 1 | IC50 | = | 30000.0 | nM | 4.52 | Inhibitory concentration against Triacylglycerol hydrolase | 15771430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771430 | 10.1021/jm049614v | Fatty-acid amide hydrolase 1 | 2 |
| 15771430 | 10.1021/jm049614v | Unchecked | 1 |
| 15771430 | 10.1021/jm049614v | Liver carboxylesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine