Compound Detail
CHEMBL3741606
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Basic Information
| ChEMBL ID | CHEMBL3741606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJOKGAHGYQPQJZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.08
ALogP
6
HBA
1
HBD
107.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acid ceramidase CHEMBL5463 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acid ceramidase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using ... | 26560855 |
| Unchecked | IC50 | = | 3.0 | nM | 8.52 | Fluorescent-based In Vitro Assa: The assay was performed in Optiplate 96-wells b... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26560855 | 10.1021/acs.jmedchem.5b01188 | Acid ceramidase | 1 |
| 26560855 | 10.1021/acs.jmedchem.5b01188 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine