Compound Detail
CHEMBL177708
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Basic Information
| ChEMBL ID | CHEMBL177708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZTIVNKCUGXBSS-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
5.50
ALogP
4
HBA
0
HBD
56.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Ki 2 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 8.12 | 8.12 | 7.5 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3455 | Ki | 8.12 | 8.12 | 7.5 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Liver carboxylesterase 1 CHEMBL2265 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 7.5 | nM | 8.12 | Inhibitory constant determined against recombinant Fatty-acid amide hydrolase fr... | 15771430 |
| Fatty-acid amide hydrolase 1 | Ki | = | 7.5 | nM | 8.12 | Inhibitor affinity towards enzymes of class serine hydrolase was determined usin... | 15713400 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 8.0 | nM | 8.1 | Inhibitory concentration of fatty acid amide hydrolase using FP-Rh radioligand | 15713400 |
| Liver carboxylesterase 1 | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory concentration of triacylgylcerol hydrolase using FP-Rh radioligand | 15713400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713400 | 10.1016/j.bmcl.2004.12.085 | Fatty-acid amide hydrolase 1 | 2 |
| 15771430 | 10.1021/jm049614v | Fatty-acid amide hydrolase 1 | 1 |
| 15713400 | 10.1016/j.bmcl.2004.12.085 | Unchecked | 1 |
| 15713400 | 10.1016/j.bmcl.2004.12.085 | Liver carboxylesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine