Compound Detail
CHEMBL4871398
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Basic Information
| ChEMBL ID | CHEMBL4871398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKJJOBUFDAYUDT-HNNXBMFYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
3.97
ALogP
6
HBA
0
HBD
70.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase CHEMBL4349 | IC50 | 6.75 | 6.6967 | 177.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 177.0 | nM | 6.75 | h-NAAA Assay: HEK293 cells stably transfected with the human NAAA coding sequenc... | - |
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 200.0 | nM | 6.7 | h-NAAA Assay: HEK293 cells stably transfected with the human NAAA coding sequenc... | - |
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 230.0 | nM | 6.64 | Inhibition of NAAA (unknown origin) | 33900772 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33900772 | 10.1021/acs.jmedchem.1c00076 | N-acylethanolamine-hydrolyzing acid amidase | 1 |
Data from ChEMBL 36 via Core Engine