Compound Detail
CHEMBL1082301
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Basic Information
| ChEMBL ID | CHEMBL1082301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MABBDZWYIBJBFO-QRQLOZEOSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
3.52
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.05
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus (A/Puerto Rico/8/1934(H1N1)) CHEMBL612610 | EC50 | 6.05 | 6.05 | 890.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 5.44 | 5.44 | 3600.0 | 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 | = | 890.0 | nM | 6.05 | Antiviral activity against Influenza A virus (A/Weiss/43 (H1N1)) infected in MDC... | 20494579 |
| ADMET | IC50 | = | 3200.0 | nM | 5.5 | Toxicity assessed as haemolysis in chicken RBC | 20494579 |
| Influenza A virus | EC50 | = | 3600.0 | nM | 5.44 | Antiviral activity against oseltamivir/amantadine-resistant Influenza A virus (A... | 25815159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25815159 | 10.1021/ml500533x | Influenza A virus | 2 |
| 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 |
| 20494579 | 10.1016/j.bmcl.2010.04.141 | ADMET | 1 |
| 25815159 | 10.1021/ml500533x | MDCK | 1 |
Data from ChEMBL 36 via Core Engine