Compound Detail
CHEMBL2333058
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Basic Information
| ChEMBL ID | CHEMBL2333058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNPSKUBDWAAFCZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
225.2
MW (Da)
0.28
ALogP
4
HBA
2
HBD
84.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acid ceramidase CHEMBL2331070 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acid ceramidase | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells us... | 23614460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23614460 | 10.1021/jm301879g | Acid ceramidase | 1 |
Data from ChEMBL 36 via Core Engine