Compound Detail
CHEMBL4520982
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Basic Information
| ChEMBL ID | CHEMBL4520982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTFDVXDTNNWAMT-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
3.01
ALogP
6
HBA
2
HBD
92.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.76
Ki 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3455 | Ki | 7.34 | 7.34 | 46.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3455 | IC50 | 6.76 | 6.76 | 175.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 46.0 | nM | 7.34 | Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant usin... | 31518969 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 175.0 | nM | 6.76 | 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