Compound Detail
CHEMBL2333033
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Basic Information
| ChEMBL ID | CHEMBL2333033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLRJQFMAXXADBL-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
1.69
ALogP
4
HBA
2
HBD
84.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acid ceramidase CHEMBL2331070 | IC50 | 8.0 | 7.9467 | 10.0 | 3 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acid ceramidase | IC50 | = | 10.0 | nM | 8.0 | Enzymatic Assay: r-AC protein samples were pre-incubated with various concentrat... | - |
| Acid ceramidase | IC50 | = | 12.0 | nM | 7.92 | Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells us... | 23614460 |
| Acid ceramidase | IC50 | = | 12.0 | nM | 7.92 | Inhibition of rat acid ceramidase | 33290061 |
| Replicase polyprotein 1ab | IC50 | = | 7400.0 | nM | 5.13 | Inhibition of recombinant full length his tagged C-terminal SARS-CoV 2 main prot... | 37633203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23614460 | 10.1021/jm301879g | Acid ceramidase | 1 |
| 33290061 | 10.1021/acs.jmedchem.0c01561 | Acid ceramidase | 1 |
| 37633203 | 10.1016/j.ejmech.2023.115720 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine