Compound Detail
CHEMBL178563
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Basic Information
| ChEMBL ID | CHEMBL178563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUSLQAWJWPTQHX-KTKRTIGZSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
7.35
ALogP
5
HBA
0
HBD
68.9
PSA (Ų)
0.15
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.52
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 8.52 | 8.52 | 3.0 | 3 |
| Fatty-acid amide hydrolase 1 CHEMBL3455 | Ki | 8.52 | 8.52 | 3.0 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Liver carboxylesterase 1 CHEMBL2265 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 3.0 | nM | 8.52 | Inhibitor affinity towards enzymes of class serine hydrolase was determined usin... | 15713400 |
| Fatty-acid amide hydrolase 1 | Ki | = | 3.0 | nM | 8.52 | Inhibitor affinity towards enzymes of class serine hydrolase was determined usin... | 15713400 |
| Fatty-acid amide hydrolase 1 | Ki | = | 3.0 | nM | 8.52 | Binding affinity against purified rat Fatty-acid amide hydrolase (FAAH) expresse... | 15582420 |
| Fatty-acid amide hydrolase 1 | Ki | = | 3.0 | nM | 8.52 | Inhibition of rat FAAH | 18053726 |
| Fatty-acid amide hydrolase 1 | Ki | = | 3.0 | nM | 8.52 | Inhibition of rat FAAH expressed in Escherichia coli | 18630870 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 4.0 | nM | 8.4 | Inhibitory concentration of fatty acid amide hydrolase using FP-Rh radioligand | 15713400 |
| Liver carboxylesterase 1 | IC50 | = | 20000.0 | nM | 4.7 | 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 | 3 |
| 15713400 | 10.1016/j.bmcl.2004.12.085 | Unchecked | 1 |
| 15713400 | 10.1016/j.bmcl.2004.12.085 | Liver carboxylesterase 1 | 1 |
| 15582420 | 10.1016/j.bmcl.2004.10.025 | Fatty-acid amide hydrolase 1 | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Fatty-acid amide hydrolase 1 | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Unchecked | 1 |
| 18630870 | 10.1021/jm800136b | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine