Compound Detail
CHEMBL414450
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Basic Information
| ChEMBL ID | CHEMBL414450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMKIERTYDNQXGN-KTKRTIGZSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
5.36
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.13
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.22
Ki 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | Ki | 6.72 | 6.72 | 190.0 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 6.22 | 5.91 | 600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 190.0 | nM | 6.72 | Compound was tested for inhibitory potency against Fatty-acid amide hydrolase (F... | 9871570 |
| Fatty-acid amide hydrolase 1 | Ki | = | 190.0 | nM | 6.72 | Inhibition of FAAH assessed as conversion [14]C-oleamide to oleic acid by Scinti... | 21764305 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 600.0 | nM | 6.22 | Inhibitory concentration against Fatty-acid amide hydrolase (FAAH) at pH 9.0 | 9871570 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 2500.0 | nM | 5.6 | Concentration required to inhibit fatty acid amide hydrolase (FAAH) at pH 7.0 | 9871570 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871570 | 10.1016/s0960-894x(98)00073-0 | Fatty-acid amide hydrolase 1 | 3 |
| 21764305 | 10.1016/j.bmcl.2011.06.096 | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine