Compound Detail
CHEMBL3323227
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Basic Information
| ChEMBL ID | CHEMBL3323227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTGHGASNCTVJFM-TXEJJXNPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
175.3
MW (Da)
2.26
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 4.52 | 4.47 | 30000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 30000.0 | nM | 4.52 | Antiviral activity against Influenza A virus A/PR/8/34 (H1N1) infected in MDCK c... | 25050174 |
| Influenza A virus | EC50 | = | 38000.0 | nM | 4.42 | Antiviral activity against Influenza A virus A/PR/8/34 (H1N1) infected in MDCK c... | 25050174 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25050174 | 10.1021/ml500108s | Influenza A virus | 2 |
| 25050174 | 10.1021/ml500108s | NON-PROTEIN TARGET | 2 |
| 25050174 | 10.1021/ml500108s | MDCK | 2 |
Data from ChEMBL 36 via Core Engine