Compound Detail
CHEMBL461380
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Basic Information
| ChEMBL ID | CHEMBL461380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKKGZCSHAXLWAT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
3.57
ALogP
6
HBA
1
HBD
70.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 6.76 | 6.76 | 173.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 47.0 | nM | 7.33 | Inhibition of rat FAAH preincubated for 20 mins | 18693015 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 173.0 | nM | 6.76 | Inhibition of human FAAH preincubated for 20 mins | 18693015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18693015 | 10.1016/j.bmcl.2008.07.081 | Fatty-acid amide hydrolase 1 | 2 |
Data from ChEMBL 36 via Core Engine