Compound Detail
CHEMBL226990
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Basic Information
| ChEMBL ID | CHEMBL226990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPLDDPZWNXUZQF-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
5.34
ALogP
5
HBA
0
HBD
65.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.47
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 8.47 | 8.47 | 3.4 | 3 |
| 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 | = | 2.0 | nM | 8.7 | Inhibition of rat recombinant FAAH expressed in Escherichia coli | 18247553 |
| Fatty-acid amide hydrolase 1 | Ki | = | 3.4 | nM | 8.47 | Inhibition of rat recombinant FAAH expressed in Escherichia coli | 17559203 |
| Fatty-acid amide hydrolase 1 | Ki | = | 3.4 | nM | 8.47 | Inhibition of rat recombinant FAAH expressed in Escherichia coli | 18247553 |
| Fatty-acid amide hydrolase 1 | Ki | = | 3.4 | nM | 8.47 | Inhibition of rat recombinant FAAH expressed in Escherichia coli | 18247553 |
| Liver carboxylesterase 1 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of TGH | 18247553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18247553 | 10.1021/jm701210y | Fatty-acid amide hydrolase 1 | 3 |
| 17559203 | 10.1021/jm061414r | Unchecked | 2 |
| 18247553 | 10.1021/jm701210y | Unchecked | 2 |
| 17559203 | 10.1021/jm061414r | Fatty-acid amide hydrolase 1 | 1 |
| 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