Compound Detail
CHEMBL573850
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Basic Information
| ChEMBL ID | CHEMBL573850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMZCKAUTEOSCGB-VAWYXSNFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
220.2
MW (Da)
2.69
ALogP
4
HBA
0
HBD
71.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Poliovirus 1 CHEMBL613556 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 8000.0 | nM | 5.1 | Antiviral activity against Respiratory syncytial virus A2 infected in Vero-76 ce... | 19482481 |
| Poliovirus 1 | EC50 | = | 30000.0 | nM | 4.52 | Antiviral activity against Human poliovirus 1 strain Sabin after 2 days by plaqu... | 19482481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19482481 | 10.1016/j.bmc.2009.05.020 | ADMET | 2 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Poliovirus 1 | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Human alphaherpesvirus 1 | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Respiratory syncytial virus | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Coxsackievirus B2 | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Vero | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Mammalian orthoreovirus 1 | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Yellow fever virus | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | MT4 | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Human immunodeficiency virus 1 | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Vesicular stomatitis virus | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Vaccinia virus | 1 |
Data from ChEMBL 36 via Core Engine