Compound Detail
CHEMBL451441
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Basic Information
| ChEMBL ID | CHEMBL451441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CACLVJBQOQELCV-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
3.99
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 7.27 | 7.27 | 53.7 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.4583 | hr | - |
| T1/2 | 0.3317 | hr | Rattus norvegicus |
| T1/2 | 0.04167 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 54.0 | nM | 7.27 | Inhibition of FAAH in rat brain membrane assessed as [3H]anandamide hydrolysis | 18507372 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 53.7 | nM | 7.27 | Inhibition of FAAH in rat brain membrane assessed as [3H]anandamide hydrolysis | 18507372 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 53.7 | nM | 7.27 | Displacement of [3H]-anandamide from rat brain FAAH after 30 mins by scintillati... | 21820769 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18507372 | 10.1021/jm701631z | Fatty-acid amide hydrolase 1 | 2 |
| 21820769 | 10.1016/j.ejmech.2011.07.021 | No relevant target | 2 |
| 21820769 | 10.1016/j.ejmech.2011.07.021 | Plasma | 2 |
| 21820769 | 10.1016/j.ejmech.2011.07.021 | Liver | 2 |
| 21820769 | 10.1016/j.ejmech.2011.07.021 | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine