Compound Detail
CHEMBL4446507
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Basic Information
| ChEMBL ID | CHEMBL4446507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSQCUNURQNCAGE-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
2.52
ALogP
5
HBA
3
HBD
95.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Ki 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3455 | Ki | 6.38 | 6.38 | 420.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3455 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 420.0 | nM | 6.38 | Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant usin... | 31518969 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of FAAH in mouse brain membranes using [14C]-AEA as substrate incubat... | 31518969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31518969 | 10.1016/j.ejmech.2019.111674 | Fatty-acid amide hydrolase 1 | 2 |
| 31518969 | 10.1016/j.ejmech.2019.111674 | D(2) dopamine receptor | 2 |
| 31518969 | 10.1016/j.ejmech.2019.111674 | D(3) dopamine receptor | 2 |
| 31518969 | 10.1016/j.ejmech.2019.111674 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
Data from ChEMBL 36 via Core Engine