Compound Detail
CHEMBL178071
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Basic Information
| ChEMBL ID | CHEMBL178071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFBRVIBLBRUALR-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
339.5
MW (Da)
5.78
ALogP
4
HBA
0
HBD
43.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.26
IC50 2 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | Ki | 7.26 | 7.26 | 55.0 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 7.26 | 7.26 | 55.0 | 2 |
| Liver carboxylesterase 1 CHEMBL2265 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 55.0 | nM | 7.26 | Inhibition of rat FAAH expressed in Escherichia coli | 18630870 |
| Fatty-acid amide hydrolase 1 | Ki | = | 55.0 | nM | 7.26 | Inhibitory constant determined against recombinant Fatty-acid amide hydrolase fr... | 15771430 |
| Fatty-acid amide hydrolase 1 | Ki | = | 55.0 | nM | 7.26 | Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamid... | 17279740 |
| Fatty-acid amide hydrolase 1 | Ki | = | 55.0 | nM | 7.26 | Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0 | 18630870 |
| Fatty-acid amide hydrolase 1 | Ki | = | 55.0 | nM | 7.26 | Inhibition of FAAH | 21764305 |
| Liver carboxylesterase 1 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of TGH | 18630870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18630870 | 10.1021/jm800136b | Fatty-acid amide hydrolase 1 | 2 |
| 18630870 | 10.1021/jm800136b | Unchecked | 2 |
| 15771430 | 10.1021/jm049614v | Fatty-acid amide hydrolase 1 | 1 |
| 17279740 | 10.1021/jm0611509 | Fatty-acid amide hydrolase 1 | 1 |
| 18630870 | 10.1021/jm800136b | Neutral cholesterol ester hydrolase 1 | 1 |
| 18630870 | 10.1021/jm800136b | Liver carboxylesterase 1 | 1 |
| 21764305 | 10.1016/j.bmcl.2011.06.096 | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine