Compound Detail
CHEMBL2333044
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Basic Information
| ChEMBL ID | CHEMBL2333044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKFJHMZDHFEJLR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
0.72
ALogP
5
HBA
3
HBD
96.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acid ceramidase CHEMBL2331070 | IC50 | 5.47 | 5.47 | 3400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acid ceramidase | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells us... | 23614460 |
| Acid ceramidase | IC50 | = | 3400.0 | nM | 5.47 | Enzymatic Assay: r-AC protein samples were pre-incubated with various concentrat... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23614460 | 10.1021/jm301879g | Acid ceramidase | 1 |
Data from ChEMBL 36 via Core Engine