Compound Detail
CHEMBL487798
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Basic Information
| ChEMBL ID | CHEMBL487798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYDLFVZOIDOGSO-KKBFJBPOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
-0.99
ALogP
6
HBA
4
HBD
108.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 550.0 | nM | 6.26 | Antiviral activity against Hepatitis C virus infected in human Huh7.5 cells afte... | 23511018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1336040 | 10.1021/np50089a003 | ADMET | 6 |
| 23511018 | 10.1016/j.bmcl.2013.02.089 | Molecular identity unknown | 4 |
| 3572427 | 10.1021/np50048a005 | P388 | 2 |
| 23511018 | 10.1016/j.bmcl.2013.02.089 | Huh-7 | 2 |
| 16441059 | 10.1021/np058068l | NON-PROTEIN TARGET | 1 |
| 3572427 | 10.1021/np50048a005 | NON-PROTEIN TARGET | 1 |
| 1336040 | 10.1021/np50089a003 | Japanese encephalitis virus | 1 |
| 15730244 | 10.1021/np0304518 | BXPC-3 | 1 |
| 15730244 | 10.1021/np0304518 | P388 | 1 |
| 29033234 | 10.1016/j.bmcl.2017.09.052 | Staphylococcus aureus | 1 |
| 16441059 | 10.1021/np058068l | NCI-H460 | 1 |
| 16441059 | 10.1021/np058068l | DU-145 | 1 |
| 16441059 | 10.1021/np058068l | KM-20L2 | 1 |
| 1336040 | 10.1021/np50089a003 | dengue virus type 4 | 1 |
| 16441059 | 10.1021/np058068l | MCF7 | 1 |
| 16441059 | 10.1021/np058068l | BXPC-3 | 1 |
| 16441059 | 10.1021/np058068l | P388 | 1 |
| 1336040 | 10.1021/np50089a003 | Sandfly fever Sicilian virus | 1 |
| 1336040 | 10.1021/np50089a003 | Rift Valley fever virus | 1 |
| 1336040 | 10.1021/np50089a003 | Punta Toro virus | 1 |
Data from ChEMBL 36 via Core Engine