Compound Detail
CHEMBL2333040
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Basic Information
| ChEMBL ID | CHEMBL2333040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBZFIIUFDXKSHN-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
2.34
ALogP
4
HBA
2
HBD
84.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.81
EC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acid ceramidase CHEMBL5463 | IC50 | 6.81 | 6.81 | 155.0 | 1 |
| Acid ceramidase CHEMBL2331070 | IC50 | 6.75 | 6.75 | 177.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acid ceramidase | IC50 | = | 155.0 | nM | 6.81 | Acid Ceramidase Activity Assay: A hAC protein preparation (10 μg) was preincubat... | - |
| Acid ceramidase | IC50 | = | 177.0 | nM | 6.75 | Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells us... | 23614460 |
| Acid ceramidase | IC50 | = | 177.0 | nM | 6.75 | Enzymatic Assay: r-AC protein samples were pre-incubated with various concentrat... | - |
| NON-PROTEIN TARGET | EC50 | = | 24000.0 | nM | 4.62 | Antiproliferative activity against human SW403 cells after 72 hrs by MTT assay | 23614460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23614460 | 10.1021/jm301879g | NON-PROTEIN TARGET | 1 |
| 23614460 | 10.1021/jm301879g | Acid ceramidase | 1 |
Data from ChEMBL 36 via Core Engine