Compound Detail
CHEMBL219953
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Basic Information
| ChEMBL ID | CHEMBL219953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHWZOKMNLUJQPA-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
4.81
ALogP
5
HBA
1
HBD
93.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.15
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | Ki | 8.15 | 8.125 | 7.0 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 8.09 | 8.09 | 8.1 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Liver carboxylesterase 1 CHEMBL2265 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 7.0 | nM | 8.15 | Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamid... | 17279740 |
| Fatty-acid amide hydrolase 1 | Ki | = | 8.0 | nM | 8.1 | Inhibition of human FAAH expressed in COS7 cells by [14C]oleamide breakdown | 17279740 |
| Fatty-acid amide hydrolase 1 | Ki | = | 8.1 | nM | 8.09 | Inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as bre... | 24456116 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamid... | 17279740 |
| Liver carboxylesterase 1 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of TGH | 17279740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17279740 | 10.1021/jm0611509 | Fatty-acid amide hydrolase 1 | 3 |
| 17279740 | 10.1021/jm0611509 | Unchecked | 2 |
| 17279740 | 10.1021/jm0611509 | Neutral cholesterol ester hydrolase 1 | 1 |
| 17279740 | 10.1021/jm0611509 | Liver carboxylesterase 1 | 1 |
| 24456116 | 10.1021/jm401820q | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine