Compound Detail
CHEMBL3622460
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Basic Information
| ChEMBL ID | CHEMBL3622460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYRJRBAMVHMUTQ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
438.4
MW (Da)
2.41
ALogP
6
HBA
8
HBD
170.7
PSA (Ų)
0.16
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.2
IC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 5.2 | 4.91 | 6300.0 | 2 |
| Polymerase acidic protein CHEMBL3621021 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 6300.0 | nM | 5.2 | Antiviral activity against Influenza A virus (A/PR/8/1934(H1N1)) infected in MDC... | 26288686 |
| Polymerase acidic protein | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 t... | 26288686 |
| Influenza A virus | EC50 | = | 24000.0 | nM | 4.62 | Antiviral activity against Influenza A virus (A/PR/8/1934(H1N1)) infected in HEK... | 26288686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26288686 | 10.1021/acsmedchemlett.5b00109 | Influenza A virus | 3 |
| 26288686 | 10.1021/acsmedchemlett.5b00109 | Polymerase acidic protein | 1 |
| 26288686 | 10.1021/acsmedchemlett.5b00109 | MDCK | 1 |
| 26288686 | 10.1021/acsmedchemlett.5b00109 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine