Compound Detail
CHEMBL344461
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Basic Information
| ChEMBL ID | CHEMBL344461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SACLIBNEKWTDEG-UHFFFAOYSA-N |
0
Targets
12
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
223.6
MW (Da)
2.29
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20122762 | 10.1016/j.ejmech.2010.01.018 | NON-PROTEIN TARGET | 6 |
| 894670 | 10.1021/jm00218a003 | Ehrlich | 2 |
| 894670 | 10.1021/jm00218a003 | Malate dehydrogenase, mitochondrial | 2 |
| 7086823 | 10.1021/jm00343a011 | Malate dehydrogenase, mitochondrial | 1 |
| 7086823 | 10.1021/jm00343a011 | Malate dehydrogenase, cytoplasmic | 1 |
| 7086823 | 10.1021/jm00343a011 | NON-PROTEIN TARGET | 1 |
| 7086823 | 10.1021/jm00343a011 | Ehrlich | 1 |
| 3981536 | 10.1021/jm00382a010 | Malate dehydrogenase, mitochondrial | 1 |
| 3981536 | 10.1021/jm00382a010 | Malate dehydrogenase, cytoplasmic | 1 |
| 3981536 | 10.1021/jm00382a010 | Unchecked | 1 |
| 3981536 | 10.1021/jm00382a010 | Ehrlich | 1 |
| 20122762 | 10.1016/j.ejmech.2010.01.018 | Radical scavenging activity | 1 |
| 20122762 | 10.1016/j.ejmech.2010.01.018 | No relevant target | 1 |
| 30028141 | 10.1021/acs.jmedchem.8b00399 | 2-Hydroxyacid oxidase 1 | 1 |
Data from ChEMBL 36 via Core Engine