Compound Detail
CHEMBL3037905
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CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL3037905 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | QJSQRZRWAUAWPH-IGAVUMLISA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
4305.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.33 | 5.9925 | 470.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 470.0 | nM | 6.33 | Antiviral activity against HIV1 CNE3 infected in HEK293T cells by luciferase rep... | 23522564 |
| Human immunodeficiency virus 1 | IC50 | = | 1190.0 | nM | 5.92 | Antiviral activity against HIV1 JRFL infected in HEK293T cells by luciferase rep... | 23522564 |
| Human immunodeficiency virus 1 | IC50 | = | 1310.0 | nM | 5.88 | Antiviral activity against HIV1 HXB2 infected in HEK293T cells by luciferase rep... | 23522564 |
| Human immunodeficiency virus 1 | IC50 | = | 1430.0 | nM | 5.84 | Antiviral activity against HIV1 SF162 infected in HEK293T cells by luciferase re... | 23522564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23522564 | 10.1016/j.bmcl.2013.02.071 | Human immunodeficiency virus 1 | 4 |
Data from ChEMBL 36 via Core Engine