Compound Detail
CHEMBL1084222
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Basic Information
| ChEMBL ID | CHEMBL1084222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGJXJIVIRCSMBL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
4.29
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus (A/Puerto Rico/8/1934(H1N1)) CHEMBL612610 | EC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | EC50 | = | 450.0 | nM | 6.35 | Antiviral activity against Influenza A virus (A/Weiss/43 (H1N1)) infected in MDC... | 20494579 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20494579 | 10.1016/j.bmcl.2010.04.141 | Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | 1 |
| 20494579 | 10.1016/j.bmcl.2010.04.141 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine