Compound Detail
CHEMBL3734816
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Basic Information
| ChEMBL ID | CHEMBL3734816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWAKVPKQMFDFHV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
321.8
MW (Da)
3.80
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Coxsackievirus B5 CHEMBL613555 | EC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Human poliovirus 1 strain Sabin CHEMBL2366966 | EC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 | EC50 | = | 16000.0 | nM | 4.8 | Antiviral activity against BVDV NADL ATCC VR-534 infected in MDBK cells assessed... | 26479028 |
| Coxsackievirus B5 | EC50 | = | 17000.0 | nM | 4.77 | Antiviral activity against CVB-5 virus Faulkner ATCC VR-185 infected in african ... | 26479028 |
| Human poliovirus 1 strain Sabin | EC50 | = | 38000.0 | nM | 4.42 | Antiviral activity against Human poliovirus 1 strain Sabin 1 virus infected in a... | 26479028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26479028 | 10.1016/j.ejmech.2015.10.002 | ADMET | 3 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Human immunodeficiency virus 1 | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | MT4 | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Bovine viral diarrhea virus 1 | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Yellow fever virus | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | NON-PROTEIN TARGET | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Coxsackievirus B5 | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Human poliovirus 1 strain Sabin | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Respiratory syncytial virus | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Vesicular stomatitis virus | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Vaccinia virus | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Human alphaherpesvirus 1 | 1 |
Data from ChEMBL 36 via Core Engine