Compound Detail
CHEMBL2419817
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Basic Information
| ChEMBL ID | CHEMBL2419817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTVDTLVLQXSSEC-OCCSQVGLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
2.44
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase CHEMBL2034805 | IC50 | 5.45 | 5.45 | 3530.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 3530.0 | nM | 5.45 | Inhibition of Sprague Dawley rat lung native NAAA enzyme using heptadecenoyletha... | 23991897 |
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 3530.0 | nM | 5.45 | Enzymatic Assay: Lysosomal NAAA protein preparation were obtained by homogenizin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23991897 | 10.1021/jm400739u | N-acylethanolamine-hydrolyzing acid amidase | 1 |
Data from ChEMBL 36 via Core Engine