Compound Detail
CHEMBL3741996
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Basic Information
| ChEMBL ID | CHEMBL3741996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYOZXGAZKBZKNM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
4.84
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acid ceramidase CHEMBL5463 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1167 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acid ceramidase | IC50 | = | 0.8 | nM | 9.1 | Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using ... | 26560855 |
| Unchecked | IC50 | = | 0.8 | nM | 9.1 | 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