Compound Detail
CHEMBL4203151
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Basic Information
| ChEMBL ID | CHEMBL4203151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXZXDYAGMMUIBN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
2.77
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase CHEMBL4349 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Acid ceramidase CHEMBL2331070 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 3.333 | hr | Rattus norvegicus |
| T1/2 | 24.0 | hr | - |
| T1/2 | 24.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 210.0 | nM | 6.68 | Determining Endocannabinoid Hydrolase Activity: In the Experimental example, end... | - |
| Acid ceramidase | IC50 | = | 270.0 | nM | 6.57 | Inhibition of rat acid ceramidase expressed in HEK293 cells using N-lauroylceram... | 28802121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27766867 | 10.1021/acs.jmedchem.6b00538 | No relevant target | 2 |
| 28802121 | 10.1016/j.ejmech.2017.08.004 | Acid ceramidase | 2 |
| 27766867 | 10.1021/acs.jmedchem.6b00538 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine