Compound Detail
CHEMBL366959
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL366959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDBYMCCQYQOBML-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
4.72
ALogP
4
HBA
0
HBD
56.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.8
Ki 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 7.96 | 7.96 | 11.0 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL3455 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 7.8 | 7.4 | 16.0 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Liver carboxylesterase 1 CHEMBL2265 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 11.0 | nM | 7.96 | Inhibitory constant determined against recombinant Fatty-acid amide hydrolase fr... | 15771430 |
| Fatty-acid amide hydrolase 1 | Ki | = | 11.0 | nM | 7.96 | Inhibitor affinity towards enzymes of class serine hydrolase was determined usin... | 15713400 |
| Fatty-acid amide hydrolase 1 | Ki | = | 11.0 | nM | 7.96 | Inhibition of rat FAAH | 18053726 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of human FAAH assessed as hydrolysis of anandamido-amino-methyl-cumar... | 21392988 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of rat FAAH assessed as hydrolysis of anandamido-amino-methyl-cumarin | 21392988 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibitory concentration of fatty acid amide hydrolase using FP-Rh radioligand | 15713400 |
| Liver carboxylesterase 1 | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory concentration of triacylgylcerol hydrolase using FP-Rh radioligand | 15713400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713400 | 10.1016/j.bmcl.2004.12.085 | Fatty-acid amide hydrolase 1 | 2 |
| 21392988 | 10.1016/j.bmcl.2011.02.052 | Fatty-acid amide hydrolase 1 | 2 |
| 15771430 | 10.1021/jm049614v | Fatty-acid amide hydrolase 1 | 1 |
| 15713400 | 10.1016/j.bmcl.2004.12.085 | Unchecked | 1 |
| 15713400 | 10.1016/j.bmcl.2004.12.085 | Liver carboxylesterase 1 | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine