Compound Detail
CHEMBL1969873
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1969873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJYYHAFJMFJSDR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
343.2
MW (Da)
4.28
ALogP
3
HBA
2
HBD
58.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poliovirus 1 CHEMBL613556 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 4.34 | 4.34 | 46000.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poliovirus 1 | EC50 | = | 12000.0 | nM | 4.92 | Antiviral activity against Poliovirus type 1 Sabin strain infected in african gr... | 25082514 |
| Bovine viral diarrhea virus 1 | EC50 | = | 46000.0 | nM | 4.34 | Antiviral activity against Bovine viral diarrhea virus infected in MDBK cells as... | 25082514 |
| Human alphaherpesvirus 1 | EC50 | = | 60000.0 | nM | 4.22 | Antiviral activity against HSV1 infected in african green monkey Vero 76 cells a... | 25082514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25082514 | 10.1016/j.bmc.2014.06.043 | ADMET | 2 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | MT4 | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Human immunodeficiency virus 1 | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Bovine viral diarrhea virus 1 | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | NON-PROTEIN TARGET | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Yellow fever virus | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Reovirus sp. | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Poliovirus 1 | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Vesicular stomatitis virus | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Human alphaherpesvirus 1 | 1 |
Data from ChEMBL 36 via Core Engine