Compound Detail
CHEMBL2385514
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Basic Information
| ChEMBL ID | CHEMBL2385514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPMGPHKLPREXTE-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
375.8
MW (Da)
6.05
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.89
IC50 1 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 7.02 | 7.02 | 95.0 | 1 |
| Vesicular stomatitis virus CHEMBL613739 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 5.72 | 5.72 | 1884.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 95.0 | nM | 7.02 | Inhibition of human DHODH | 23930152 |
| Vesicular stomatitis virus | EC50 | = | 1300.0 | nM | 5.89 | Antiviral activity against VSV infected in MDCK cells assessed as inhibition of ... | 23930152 |
| Influenza A virus | EC50 | = | 1884.0 | nM | 5.72 | Antiviral activity against influenza A virus A/WSN/33 (H0N1) infected in MDCK ce... | 23930152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23930152 | 10.1021/ml300464h | Influenza A virus | 1 |
| 23930152 | 10.1021/ml300464h | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 23930152 | 10.1021/ml300464h | Vesicular stomatitis virus | 1 |
Data from ChEMBL 36 via Core Engine