Compound Detail
CHEMBL426410
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 | CHEMBL426410 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBJNKCWDUQMEEA-KTKRTIGZSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
409.6
MW (Da)
8.56
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.15
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.5
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 6.5 | 6.5 | 320.0 | 3 |
| Fatty-acid amide hydrolase 1 CHEMBL3455 | Ki | 6.5 | 6.5 | 320.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Liver carboxylesterase 1 CHEMBL2265 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 320.0 | nM | 6.5 | Inhibitory constant determined against recombinant Fatty-acid amide hydrolase fr... | 15771430 |
| Fatty-acid amide hydrolase 1 | Ki | = | 320.0 | nM | 6.5 | Inhibitor affinity towards enzymes of class serine hydrolase was determined usin... | 15713400 |
| Fatty-acid amide hydrolase 1 | Ki | = | 320.0 | nM | 6.5 | Inhibition of rat FAAH | 18053726 |
| Fatty-acid amide hydrolase 1 | Ki | = | 320.0 | nM | 6.5 | Inhibition of rat FAAH expressed in Escherichia coli | 18630870 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 5000.0 | nM | 5.3 | Inhibitory concentration of fatty acid amide hydrolase using FP-Rh radioligand | 15713400 |
| Liver carboxylesterase 1 | IC50 | = | 50000.0 | nM | 4.3 | 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 |
| 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 |
| 18630870 | 10.1021/jm800136b | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine