Compound Detail
CHEMBL5422940
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CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCC(=O)O)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(N)=O)S(=O)(=O)CC(C)C)S(=O)(=O)c1ccc(C(=O)O)cc1)S(=O)(=O)CC(C)C)NC(=O)CN(C[C@H](CCCCN)NC(=O)CN(C[C@H](Cc1ccc(O)cc1)NC(=O)CN(C[C@H](CCC(=O)O)NC(=O)CN(C[C@@H](NC(=O)CN(C[C@H](CCCCN)NC(=O)CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C[C@H](CCC(=O)O)NC(=O)CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C[C@H](CCSC)NC(C)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)c1ccc(C(=O)O)cc1)S(=O)(=O)CC(C)C)S(=O)(=O)CCN)[C@H](C)CC)S(=O)(=O)CC(C)C)S(=O)(=O)c1ccc(C(=O)O)cc1)S(=O)(=O)CC(C)C)S(=O)(=O)CCN
Basic Information
| ChEMBL ID | CHEMBL5422940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLGAPZHHMMUOHN-SWWGDPOISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
3791.8
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.41 | 4.41 | 38930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 38930.0 | nM | 4.41 | Antiviral activity against HIV1 IIIB infected in human MT2 cells assessed as inh... | 37706450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37706450 | 10.1021/acs.jmedchem.3c01412 | Human immunodeficiency virus 1 | 1 |
| 37706450 | 10.1021/acs.jmedchem.3c01412 | MT2 | 1 |
| 37706450 | 10.1021/acs.jmedchem.3c01412 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine