Compound Detail
CHEMBL2009615
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Basic Information
| ChEMBL ID | CHEMBL2009615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMCIMYKLZYKGHH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
271.1
MW (Da)
4.11
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poliovirus 1 CHEMBL613556 | 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 | = | 60000.0 | nM | 4.22 | Antiviral activity against Poliovirus type 1 Sabin strain infected in african gr... | 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