Compound Detail
CHEMBL5434322
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Basic Information
| ChEMBL ID | CHEMBL5434322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQRJAUFHDIXDOP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
345.7
MW (Da)
3.09
ALogP
6
HBA
2
HBD
97.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingomyelin phosphodiesterase CHEMBL2760 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingomyelin phosphodiesterase | IC50 | = | 300.0 | nM | 6.52 | Inhibition of recombinant human aSMase (62 to 628 residues) using HMU-PC as subs... | 36786607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36786607 | 10.1021/acs.jmedchem.2c01643 | Sphingomyelin phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine