Compound Detail
CHEMBL460317
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Basic Information
| ChEMBL ID | CHEMBL460317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJGLCAJZAMDFHN-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
3.75
ALogP
4
HBA
1
HBD
80.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Ki 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 7.28 | 7.28 | 53.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Liver carboxylesterase 1 CHEMBL2265 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 53.0 | nM | 7.28 | Inhibition of rat FAAH | 18639454 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of rat FAAH | 18639454 |
| Liver carboxylesterase 1 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of TGH | 18639454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18639454 | 10.1016/j.bmcl.2008.06.084 | Fatty-acid amide hydrolase 1 | 2 |
| 18639454 | 10.1016/j.bmcl.2008.06.084 | Unchecked | 2 |
| 18639454 | 10.1016/j.bmcl.2008.06.084 | Neutral cholesterol ester hydrolase 1 | 1 |
| 18639454 | 10.1016/j.bmcl.2008.06.084 | Liver carboxylesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine