Compound Detail
CHEMBL4218684
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Basic Information
| ChEMBL ID | CHEMBL4218684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBYYJVWCELMDBH-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
275.5
MW (Da)
5.45
ALogP
2
HBA
0
HBD
12.4
PSA (Ų)
0.30
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase CHEMBL4349 | IC50 | 7.52 | 7.4333 | 30.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 30.0 | nM | 7.52 | Inhibition of NAAA (unknown origin) | 27766867 |
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 30.0 | nM | 7.52 | Inhibition of human NAAA | 32191459 |
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 55.0 | nM | 7.26 | Inhibition Assay: In order to have an assay method more conducive to high-throug... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27766867 | 10.1021/acs.jmedchem.6b00538 | N-acylethanolamine-hydrolyzing acid amidase | 1 |
| 27766867 | 10.1021/acs.jmedchem.6b00538 | Fatty-acid amide hydrolase 1 | 1 |
| 32191459 | 10.1021/acs.jmedchem.0c00191 | N-acylethanolamine-hydrolyzing acid amidase | 1 |
Data from ChEMBL 36 via Core Engine