Compound Detail
CHEMBL2385719
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Basic Information
| ChEMBL ID | CHEMBL2385719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAONBXMADPYEGS-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.7
MW (Da)
5.15
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.69
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.32
IC50 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Vesicular stomatitis virus CHEMBL613739 | EC50 | 6.32 | 6.32 | 479.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 310.0 | nM | 6.51 | Inhibition of human DHODH | 23930152 |
| Vesicular stomatitis virus | EC50 | = | 479.0 | nM | 6.32 | 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