Compound Detail
CHEMBL2207980
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Basic Information
| ChEMBL ID | CHEMBL2207980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXYRSLRMTMSNLV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
390.6
MW (Da)
4.49
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 5.77 | 5.03 | 1700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 1700.0 | nM | 5.77 | Antiviral activity against Influenza A virus (A/X-31(H3N2)) infected in MDCK cel... | 23117173 |
| Influenza A virus | EC50 | = | 51000.0 | nM | 4.29 | Antiviral activity against Influenza A virus (A/X-31(H3N2)) infected in MDCK cel... | 23117173 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23117173 | 10.1016/j.bmc.2012.09.064 | Influenza A virus | 4 |
| 23117173 | 10.1016/j.bmc.2012.09.064 | MDCK | 2 |
| 23117173 | 10.1016/j.bmc.2012.09.064 | Influenza B virus | 2 |
Data from ChEMBL 36 via Core Engine