Compound Detail
CHEMBL5081359
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Basic Information
| ChEMBL ID | CHEMBL5081359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBCSQDVCJBCNLJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
5.10
ALogP
5
HBA
0
HBD
71.7
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sulfide:quinone oxidoreductase, mitochondrial CHEMBL4523512 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sulfide:quinone oxidoreductase, mitochondrial | IC50 | = | 36.0 | nM | 7.44 | Inhibition of human SQOR | 34763081 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34763081 | 10.1016/j.bmcl.2021.128443 | Sulfide:quinone oxidoreductase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine