Compound Detail
CHEMBL4748299
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Basic Information
| ChEMBL ID | CHEMBL4748299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZULXEMRJVYJIM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
1.41
ALogP
5
HBA
5
HBD
110.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.5
Kd 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.58 | 7.58 | 26.3 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.5 | 6.5 | 312.4 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 5.61 | 5.61 | 2460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 26.33 | nM | 7.58 | Binding affinity to recombinant Influenza A virus (A/USA:Huston/AA/1945 H1N1)) N... | 31954881 |
| Unchecked | EC50 | = | 312.36 | nM | 6.5 | Inhibition of recombinant Influenza A virus (A/USA:Huston/AA/1945 H1N1)) N-termi... | 31954881 |
| Influenza A virus | EC50 | = | 2460.0 | nM | 5.61 | Antiviral activity against Influenza A virus (A/WSN/1933(H1N1)) infected in dog ... | 31954881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31954881 | 10.1016/j.ejmech.2020.112048 | Unchecked | 4 |
| 38740144 | 10.1016/j.bmcl.2024.129788 | Amyloid-beta precursor protein | 2 |
| 31954881 | 10.1016/j.ejmech.2020.112048 | Influenza A virus | 1 |
| 31954881 | 10.1016/j.ejmech.2020.112048 | MDCK | 1 |
| 38740144 | 10.1016/j.bmcl.2024.129788 | No relevant target | 1 |
| 38740144 | 10.1016/j.bmcl.2024.129788 | PC-12 | 1 |
Data from ChEMBL 36 via Core Engine