Compound Detail
CHEMBL91077
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Basic Information
| ChEMBL ID | CHEMBL91077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YREDSBNIPSUDPA-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
6.82
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.02
IC50 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | Ki | 7.02 | 7.02 | 96.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 7.02 | 7.02 | 96.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 96.0 | nM | 7.02 | Inhibitory constant against Fatty-acid amide hydrolase (FAAH) in rat liver | 10021942 |
| Fatty-acid amide hydrolase 1 | Ki | = | 96.0 | nM | 7.02 | Apparent binding affinity for fatty acid amide hydrolase | 16078824 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 590.0 | nM | 6.23 | Inhibitory concentration against Fatty-acid amide hydrolase (FAAH) in rat liver | 10021942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10021942 | 10.1016/s0960-894x(98)00734-3 | Fatty-acid amide hydrolase 1 | 2 |
| 16078824 | 10.1021/jm058183t | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine