Compound Detail
CHEMBL4642380
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Basic Information
| ChEMBL ID | CHEMBL4642380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRSWBTBTNQFXOS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
7.16
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.26
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tick-borne encephalitis virus CHEMBL4296604 | EC50 | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tick-borne encephalitis virus | EC50 | = | 1.6 | nM | 8.8 | Antiviral activity against TBEV Absettarov infected in porcine PEK cells assesse... | 32199731 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32199731 | 10.1016/j.bmcl.2020.127100 | Unchecked | 3 |
| 32199731 | 10.1016/j.bmcl.2020.127100 | Tick-borne encephalitis virus | 1 |
Data from ChEMBL 36 via Core Engine