Compound Detail
CHEMBL477167
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Basic Information
| ChEMBL ID | CHEMBL477167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJVTVLNTEBCHGT-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
5.28
ALogP
5
HBA
1
HBD
80.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.1
Ki 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 5.0 | 5.0 | 10000.0 | 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 | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of rat FAAH expressed in Escherichia coli | 18630870 |
| Fatty-acid amide hydrolase 1 | Ki | = | 10000.0 | nM | 5.0 | Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0 | 18630870 |
| Liver carboxylesterase 1 | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of TGH | 18630870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18630870 | 10.1021/jm800136b | Fatty-acid amide hydrolase 1 | 2 |
| 18630870 | 10.1021/jm800136b | Unchecked | 2 |
| 18630870 | 10.1021/jm800136b | Neutral cholesterol ester hydrolase 1 | 1 |
| 18630870 | 10.1021/jm800136b | Liver carboxylesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine