Compound Detail
CHEMBL4209173
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CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4209173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZZVSHRSKBJBBM-QNSPEBOSSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
5017.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.28 | 6.28 | 520.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 5.5 | 5.195 | 3150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 520.0 | nM | 6.28 | Inhibition of MERS-CoV spike protein-mediated cell-cell fusion in 293T/MERS/EGPF... | 30192544 |
| Influenza A virus | EC50 | = | 3150.0 | nM | 5.5 | Antiviral activity against Influenza A virus (A/Puerto Rico/8/1934(H1N1)) infect... | 30192544 |
| Influenza A virus | EC50 | = | 12900.0 | nM | 4.89 | Antiviral activity against influenza A virus Hong Kong/8/1968(H3N2) infected in ... | 30192544 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30192544 | 10.1021/acs.jmedchem.8b00890 | Influenza A virus | 2 |
| 30192544 | 10.1021/acs.jmedchem.8b00890 | MDCK | 1 |
| 30192544 | 10.1021/acs.jmedchem.8b00890 | Huh-7 | 1 |
| 30192544 | 10.1021/acs.jmedchem.8b00890 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine