Compound Detail
CHEMBL373555
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Basic Information
| ChEMBL ID | CHEMBL373555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMKFBAZOWIRQSU-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
336.2
MW (Da)
4.81
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Ki 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | Ki | 8.52 | 8.52 | 3.0 | 2 |
| Liver carboxylesterase 1 CHEMBL2265 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Neutral cholesterol ester hydrolase 1 CHEMBL5048 | IC50 | 4.89 | 4.89 | 13000.0 | 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 | Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamid... | 17279740 |
| Fatty-acid amide hydrolase 1 | Ki | = | 3.0 | nM | 8.52 | Inhibition of FAAH | 21413808 |
| Liver carboxylesterase 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of TGH | 17279740 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 190.0 | nM | 6.72 | Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamid... | 17279740 |
| Neutral cholesterol ester hydrolase 1 | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of KIAA1363 | 17279740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17279740 | 10.1021/jm0611509 | Fatty-acid amide hydrolase 1 | 2 |
| 17279740 | 10.1021/jm0611509 | Unchecked | 2 |
| 17279740 | 10.1021/jm0611509 | Neutral cholesterol ester hydrolase 1 | 1 |
| 17279740 | 10.1021/jm0611509 | Liver carboxylesterase 1 | 1 |
| 21413808 | 10.1021/jm1013693 | Fatty-acid amide hydrolase 1 | 1 |
| 26584396 | 10.1021/acs.jmedchem.5b01627 | Diacylglycerol lipase-alpha | 1 |
Data from ChEMBL 36 via Core Engine