Compound Detail
CHEMBL3600950
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CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[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(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)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(=O)O
Basic Information
| ChEMBL ID | CHEMBL3600950 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | WQDFXZNSHYLITA-CDJOTMPLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
4450.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Envelope glycoprotein gp160 CHEMBL3520 | IC50 | 9.36 | 9.36 | 0.4 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 9.27 | 8.99 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Envelope glycoprotein gp160 | IC50 | = | 0.44 | nM | 9.36 | Inhibition of HIV-1 HXB2 gp41 N-terminal heptad repeat-mediated fusion between i... | 26256053 |
| Human immunodeficiency virus 1 | IC50 | = | 0.54 | nM | 9.27 | Antiviral activity against wild type HIV1 NL4-3 infected in human TZM-bl cells a... | 26256053 |
| Human immunodeficiency virus 1 | IC50 | = | 1.93 | nM | 8.71 | Antiviral activity against HIV1 NL4-3 pseudovirus infected in human TZM-bl cells... | 26256053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26256053 | 10.1021/acs.jmedchem.5b00109 | Human immunodeficiency virus 1 | 2 |
| 26256053 | 10.1021/acs.jmedchem.5b00109 | Envelope glycoprotein gp160 | 2 |
Data from ChEMBL 36 via Core Engine