Compound Detail
CHEMBL2385721
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Basic Information
| ChEMBL ID | CHEMBL2385721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYXFXXNOTATROZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
297.7
MW (Da)
4.56
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.06
IC50 1 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Vesicular stomatitis virus CHEMBL613739 | EC50 | 5.06 | 5.06 | 8650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of human DHODH | 23930152 |
| Vesicular stomatitis virus | EC50 | = | 8650.0 | nM | 5.06 | Antiviral activity against VSV infected in MDCK cells assessed as inhibition of ... | 23930152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23930152 | 10.1021/ml300464h | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 23930152 | 10.1021/ml300464h | Vesicular stomatitis virus | 1 |
Data from ChEMBL 36 via Core Engine