Compound Detail
CHEMBL1789779
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Basic Information
| ChEMBL ID | CHEMBL1789779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZIOFWBGOYMEIA-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
197.3
MW (Da)
1.44
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.85
IC50 2 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Matrix protein 2 CHEMBL1932894 | IC50 | 4.47 | 4.47 | 33500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.47 | 4.47 | 33500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 14000.0 | nM | 4.85 | Antiviral activity against Influenza A virus A/HK/7/87 (H3N2) infected in MDCK c... | 25050174 |
| Influenza A virus | EC50 | = | 16000.0 | nM | 4.8 | Antiviral activity against Influenza A virus A/PR/8/34 (H1N1) infected in MDCK c... | 25050174 |
| Unchecked | IC50 | = | 33500.0 | nM | 4.47 | Inhibition of Influenza A virus Udorn/72 wild type M2 ion channel expressed in X... | 24237039 |
| Matrix protein 2 | IC50 | = | 33500.0 | nM | 4.47 | Inhibition of influenza A virus wild type M2 proton channel expressed in Xenopus... | 25050174 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24237039 | 10.1021/jm401340p | Matrix protein 2 | 4 |
| 25050174 | 10.1021/ml500108s | MDCK | 2 |
| 24237039 | 10.1021/jm401340p | Unchecked | 2 |
| 25050174 | 10.1021/ml500108s | Matrix protein 2 | 2 |
| 24237039 | 10.1021/jm401340p | Punta Toro virus | 1 |
| 24237039 | 10.1021/jm401340p | Sindbis virus | 1 |
| 24237039 | 10.1021/jm401340p | Vesicular stomatitis virus | 1 |
| 24237039 | 10.1021/jm401340p | Respiratory syncytial virus | 1 |
| 24237039 | 10.1021/jm401340p | Human respirovirus 3 | 1 |
| 24237039 | 10.1021/jm401340p | Feline coronavirus | 1 |
| 24237039 | 10.1021/jm401340p | Vaccinia virus | 1 |
| 24237039 | 10.1021/jm401340p | Human alphaherpesvirus 2 | 1 |
| 24237039 | 10.1021/jm401340p | Human alphaherpesvirus 1 | 1 |
| 25050174 | 10.1021/ml500108s | Influenza A virus | 1 |
| 25050174 | 10.1021/ml500108s | NON-PROTEIN TARGET | 1 |
| 24237039 | 10.1021/jm401340p | Coxsackievirus B4 | 1 |
| 24237039 | 10.1021/jm401340p | Mammalian orthoreovirus 1 | 1 |
Data from ChEMBL 36 via Core Engine