Compound Detail
CHEMBL5188311
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O=C(CCC(CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)NC(=O)CCOCC(COCCC(=O)NC(CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)(COCCC(=O)NC(CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)COCCC(=O)NC(CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5188311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJBMLVBNFRRCIG-AUPAZIMXSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
3575.9
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus A71 CHEMBL612436 | EC50 | 6.52 | 5.65 | 300.0 | 4 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 5.18 | 5.18 | 6600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus A71 | EC50 | = | 300.0 | nM | 6.52 | Antiviral activity against EV-A71 infected in RD cells assessed as protection ag... | 35512567 |
| Enterovirus A71 | EC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against Enterovirus A71 BrCr harboring VP1_S184T mutant infec... | 35512567 |
| Human immunodeficiency virus 1 | EC50 | = | 2300.0 | nM | 5.64 | Antiviral activity against HIV1 NL4-3 infected in human MT4 cells assessed as pr... | 35512567 |
| Enterovirus A71 | EC50 | = | 4700.0 | nM | 5.33 | Antiviral activity against Enterovirus A71 BrCr harboring VP1_P246S mutant infec... | 35512567 |
| Human immunodeficiency virus 2 | EC50 | = | 6600.0 | nM | 5.18 | Antiviral activity against HIV2 ROD infected in human MT4 cells assessed as prot... | 35512567 |
| Enterovirus A71 | EC50 | = | 8900.0 | nM | 5.05 | Antiviral activity against Enterovirus A71 BrCr harboring VP1_S184T_P246S mutant... | 35512567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35512567 | 10.1016/j.ejmech.2022.114414 | Enterovirus A71 | 4 |
| 35512567 | 10.1016/j.ejmech.2022.114414 | ADMET | 2 |
| 35512567 | 10.1016/j.ejmech.2022.114414 | MT4 | 1 |
| 35512567 | 10.1016/j.ejmech.2022.114414 | Human immunodeficiency virus 1 | 1 |
| 35512567 | 10.1016/j.ejmech.2022.114414 | Human immunodeficiency virus 2 | 1 |
| 35512567 | 10.1016/j.ejmech.2022.114414 | RD | 1 |
Data from ChEMBL 36 via Core Engine