Compound Detail
CHEMBL4176817
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Basic Information
| ChEMBL ID | CHEMBL4176817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQHUYGWQBFFUAD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
378.3
MW (Da)
2.77
ALogP
5
HBA
5
HBD
153.8
PSA (Ų)
0.17
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingomyelin phosphodiesterase CHEMBL2760 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingomyelin phosphodiesterase | IC50 | = | 70.0 | nM | 7.16 | Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingom... | 29649738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29649738 | 10.1016/j.ejmech.2018.03.065 | Sphingomyelin phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine