Compound Detail
CHEMBL271382
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Basic Information
| ChEMBL ID | CHEMBL271382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHJDYBSUAPPIGA-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
4.31
ALogP
8
HBA
1
HBD
119.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Ki 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Liver carboxylesterase 1 CHEMBL2265 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 21.0 | nM | 7.68 | Inhibition of rat recombinant FAAH expressed in Escherichia coli | 18247553 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 180.0 | nM | 6.75 | Inhibition of rat recombinant FAAH expressed in Escherichia coli | 18247553 |
| Liver carboxylesterase 1 | IC50 | = | 90000.0 | nM | 4.05 | Inhibition of TGH | 18247553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18247553 | 10.1021/jm701210y | Fatty-acid amide hydrolase 1 | 2 |
| 18247553 | 10.1021/jm701210y | Unchecked | 2 |
| 18247553 | 10.1021/jm701210y | Neutral cholesterol ester hydrolase 1 | 1 |
| 18247553 | 10.1021/jm701210y | Liver carboxylesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine