Compound Detail
CHEMBL4648991
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Basic Information
| ChEMBL ID | CHEMBL4648991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMFMSPPRFOYYNE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
403.6
MW (Da)
3.02
ALogP
5
HBA
0
HBD
36.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zika virus CHEMBL4296612 | EC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 4.68 | 4.68 | 21057.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zika virus | EC50 | = | 5300.0 | nM | 5.28 | Antiviral activity against Zika virus infected in African green monkey Vero E6 c... | 31902708 |
| Hepatitis C virus | EC50 | = | 21057.0 | nM | 4.68 | Antiviral activity against HCV infected in human Huh7.5 cells incubated for 72 h... | 35050619 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31902708 | 10.1016/j.bmcl.2019.126906 | Zika virus | 2 |
| 31902708 | 10.1016/j.bmcl.2019.126906 | Vero C1008 | 2 |
| 31902708 | 10.1016/j.bmcl.2019.126906 | Unchecked | 1 |
| 35050619 | 10.1021/acs.jmedchem.1c01637 | Huh-7.5 | 1 |
| 35050619 | 10.1021/acs.jmedchem.1c01637 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine