Compound Detail
CHEMBL1091736
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Basic Information
| ChEMBL ID | CHEMBL1091736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXVOCXHGCVHFSN-UHFFFAOYSA-N |
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
278.2
MW (Da)
3.95
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 8 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coxsackievirus B2 CHEMBL613202 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Mammalian orthoreovirus 1 CHEMBL612927 | EC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Yellow fever virus CHEMBL613731 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Respiratory syncytial virus CHEMBL612679 | EC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Poliovirus 1 CHEMBL613556 | EC50 | 4.62 | 4.62 | 24000.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coxsackievirus B2 | EC50 | = | 5000.0 | nM | 5.3 | Antiviral activity against Human coxsackievirus B2 Ohio-1 infected in african gr... | 20359898 |
| Mammalian orthoreovirus 1 | EC50 | = | 7000.0 | nM | 5.16 | Antiviral activity against Reovirus 1 3651 infected in BHK21 cells assessed as p... | 20359898 |
| Yellow fever virus | EC50 | = | 12000.0 | nM | 4.92 | Antiviral activity against Yellow fever virus 17D infected in BHK cells assessed... | 20359898 |
| Respiratory syncytial virus | EC50 | = | 20000.0 | nM | 4.7 | Antiviral activity against RSV A2 infected in african green monkey Vero cells af... | 20359898 |
| Poliovirus 1 | EC50 | = | 24000.0 | nM | 4.62 | Antiviral activity against Polio virus type1 Sabin strain Chat infected in afric... | 20359898 |
| Human alphaherpesvirus 1 | EC50 | = | 25000.0 | nM | 4.6 | Antiviral activity against HSV1 KOS infected in african green monkey Vero cells ... | 20359898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20451399 | 10.1016/j.bmc.2010.04.027 | Aorta | 4 |
| 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 | Vaccinia virus | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Respiratory syncytial virus | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Human alphaherpesvirus 1 | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Mammalian orthoreovirus 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