Compound Detail
CHEMBL4530638
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Basic Information
| ChEMBL ID | CHEMBL4530638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFXYHZOJWADZSG-CQSZACIVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
5.37
ALogP
5
HBA
0
HBD
38.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poliovirus 1 CHEMBL613556 | EC50 | 6.77 | 6.77 | 169.0 | 1 |
| Poliovirus 2 CHEMBL613752 | EC50 | 6.52 | 6.52 | 302.0 | 1 |
| Poliovirus 3 CHEMBL613557 | EC50 | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poliovirus 1 | EC50 | = | 169.0 | nM | 6.77 | Antiviral activity against Poliovirus Sabin 1 infected in human HeLa cells asses... | 30512950 |
| Poliovirus 2 | EC50 | = | 302.0 | nM | 6.52 | Antiviral activity against Poliovirus Sabin 2 infected in human HeLa cells asses... | 30512950 |
| Poliovirus 3 | EC50 | = | 530.0 | nM | 6.28 | Antiviral activity against Poliovirus Sabin 3 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