Compound Detail
CHEMBL4441207
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Basic Information
| ChEMBL ID | CHEMBL4441207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDWJMVBWHZPDLS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
4.24
ALogP
4
HBA
0
HBD
38.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poliovirus 3 CHEMBL613557 | EC50 | 5.04 | 5.04 | 9160.0 | 1 |
| Poliovirus 2 CHEMBL613752 | EC50 | 5.04 | 5.04 | 9087.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poliovirus 3 | EC50 | = | 9160.0 | nM | 5.04 | Antiviral activity against Poliovirus Sabin 3 infected in human HeLa cells asses... | 30512950 |
| Poliovirus 2 | EC50 | = | 9087.0 | nM | 5.04 | Antiviral activity against Poliovirus Sabin 2 infected in human HeLa cells asses... | 30512950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30512950 | 10.1021/acs.jmedchem.8b01482 | Poliovirus 3 | 1 |
| 30512950 | 10.1021/acs.jmedchem.8b01482 | Poliovirus 2 | 1 |
| 30512950 | 10.1021/acs.jmedchem.8b01482 | Poliovirus 1 | 1 |
Data from ChEMBL 36 via Core Engine