Compound Detail
CHEMBL2333055
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Basic Information
| ChEMBL ID | CHEMBL2333055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUCNMBDVUWJQBT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
1.93
ALogP
7
HBA
1
HBD
99.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acid ceramidase CHEMBL5463 | IC50 | 8.11 | 8.11 | 7.7 | 1 |
| Acid ceramidase CHEMBL2331070 | IC50 | 7.8 | 7.8 | 16.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acid ceramidase | IC50 | = | 7.7 | nM | 8.11 | Inhibition of human acid ceramidase | 33290061 |
| Acid ceramidase | IC50 | = | 16.0 | nM | 7.8 | Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells us... | 23614460 |
| Acid ceramidase | IC50 | = | 16.0 | nM | 7.8 | Inhibition of rat acid ceramidase | 33290061 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33290061 | 10.1021/acs.jmedchem.0c01561 | Acid ceramidase | 2 |
| 23614460 | 10.1021/jm301879g | Acid ceramidase | 1 |
Data from ChEMBL 36 via Core Engine