Compound Detail
CHEMBL4176744
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Basic Information
| ChEMBL ID | CHEMBL4176744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGAYWDLPPDNVBP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
5.08
ALogP
3
HBA
0
HBD
34.5
PSA (Ų)
0.65
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 46.0 | nM | 7.34 | Inhibition of FAAH in rat brain microsomes assessed as reduction in enzyme-media... | 30108777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108777 | 10.1039/C6MD00683C | ADMET | 2 |
| 30108777 | 10.1039/C6MD00683C | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine