Compound Detail
CHEMBL1761301
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Basic Information
| ChEMBL ID | CHEMBL1761301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUUJSZJFOWCYDK-AWEZNQCLSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
441.0
MW (Da)
4.23
ALogP
8
HBA
0
HBD
68.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.52
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | EC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human FAAH assessed as hydrolysis of anandamido-amino-methyl-cumar... | 21392988 |
| Fatty-acid amide hydrolase 1 | EC50 | = | 3.0 | nM | 8.52 | Inhibition of FAAH in human T84 cell assessed as conversion of [3H]AEA to [3H]et... | 21392988 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of rat FAAH assessed as hydrolysis of anandamido-amino-methyl-cumarin | 21392988 |
| Fatty-acid amide hydrolase 1 | EC50 | = | 280.0 | nM | 6.55 | Inhibition of FAAH in rat RBL cell assessed as conversion of [3H]AEA to [3H]etha... | 21392988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21392988 | 10.1016/j.bmcl.2011.02.052 | Fatty-acid amide hydrolase 1 | 4 |
Data from ChEMBL 36 via Core Engine