Compound Detail
CHEMBL4292664
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Basic Information
| ChEMBL ID | CHEMBL4292664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROLWKHJQBQPKEG-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
249.4
MW (Da)
4.50
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.35
Kd 3 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 6.35 | 6.0967 | 450.0 | 3 |
| Matrix protein 2 CHEMBL2052 | Kd | 5.46 | 4.76 | 3430.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 450.0 | nM | 6.35 | Antiviral activity against Influenza A virus (A/Hong Kong/68(H3N2)) infected in ... | 29541360 |
| Influenza A virus | EC50 | = | 1060.0 | nM | 5.97 | Antiviral activity against Influenza A virus A/WSN/33 H1N1 harboring N31S mutant... | 29541360 |
| Influenza A virus | EC50 | = | 1070.0 | nM | 5.97 | Antiviral activity against Influenza A virus A/Udorn/72 H3N2 infected in MDCK ce... | 29541360 |
| Matrix protein 2 | Kd | = | 3430.0 | nM | 5.46 | Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel by ... | 29541360 |
| Matrix protein 2 | Kd | = | 88000.0 | nM | 4.06 | Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel exp... | 29541360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29541360 | 10.1021/acsmedchemlett.7b00458 | Matrix protein 2 | 16 |
| 29541360 | 10.1021/acsmedchemlett.7b00458 | Influenza A virus | 6 |
| 29541360 | 10.1021/acsmedchemlett.7b00458 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine