Compound Detail
CHEMBL1093553
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Basic Information
| ChEMBL ID | CHEMBL1093553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBZWACQMTOBFSX-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
278.1
MW (Da)
4.12
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.0
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Respiratory syncytial virus CHEMBL612679 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Coxsackievirus B2 CHEMBL613202 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 | EC50 | = | 1000.0 | nM | 6.0 | Antiviral activity against Bovine viral diarrhea virus NADL infected in MDBK cel... | 20359898 |
| Respiratory syncytial virus | EC50 | = | 10000.0 | nM | 5.0 | Antiviral activity against RSV A2 infected in african green monkey Vero cells af... | 20359898 |
| Coxsackievirus B2 | EC50 | = | 11000.0 | nM | 4.96 | Antiviral activity against Human coxsackievirus B2 Ohio-1 infected in african gr... | 20359898 |
| Human alphaherpesvirus 1 | EC50 | = | 28000.0 | nM | 4.55 | Antiviral activity against HSV1 KOS infected in african green monkey Vero cells ... | 20359898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20359898 | 10.1016/j.bmc.2010.02.037 | ADMET | 2 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Unchecked | 2 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Coxsackievirus B2 | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Yellow fever virus | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Bovine viral diarrhea virus 1 | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Vero | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | MT4 | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Poliovirus 1 | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Human alphaherpesvirus 1 | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Respiratory syncytial virus | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Human immunodeficiency virus 1 | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Vesicular stomatitis virus | 1 |
Data from ChEMBL 36 via Core Engine