Compound Detail
CHEMBL1093988
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Basic Information
| ChEMBL ID | CHEMBL1093988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOIHJXFRMYMHGG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
277.2
MW (Da)
3.83
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 3 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Coxsackievirus B2 CHEMBL613202 | EC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Poliovirus 1 CHEMBL613556 | EC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 | EC50 | = | 15000.0 | nM | 4.82 | Antiviral activity against Bovine viral diarrhea virus NADL infected in MDBK cel... | 20359898 |
| Coxsackievirus B2 | EC50 | = | 17000.0 | nM | 4.77 | Antiviral activity against Human coxsackievirus B2 Ohio-1 infected in african gr... | 20359898 |
| Poliovirus 1 | EC50 | = | 47000.0 | nM | 4.33 | Antiviral activity against Polio virus type1 Sabin strain Chat infected in afric... | 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 | Poliovirus 1 | 1 |
| 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 | Human alphaherpesvirus 1 | 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