Compound Detail
CHEMBL4476199
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CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NC1CCSCc2cccc(c2)CSCCC(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](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1=O)[C@@H](C)CC
Basic Information
| ChEMBL ID | CHEMBL4476199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDZVTUKRTVEPSE-HIAGSHEGSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
2616.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Envelope glycoprotein gp160 CHEMBL1293311 | EC50 | 7.47 | 7.47 | 33.9 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.35 | 7.255 | 44.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Envelope glycoprotein gp160 | EC50 | = | 33.9 | nM | 7.47 | Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressi... | 31513410 |
| Human immunodeficiency virus 1 | EC50 | = | 44.4 | nM | 7.35 | Antiviral activity against X4 tropic HIV-1 subtype-B 3B infected in human MT2 ce... | 31513410 |
| Human immunodeficiency virus 1 | EC50 | = | 69.1 | nM | 7.16 | Antiviral activity against R5 tropic HIV-1 subtype-B Bal infected in human MT2 c... | 31513410 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31513410 | 10.1021/acs.jmedchem.9b00882 | Envelope glycoprotein gp160 | 6 |
| 31513410 | 10.1021/acs.jmedchem.9b00882 | Human immunodeficiency virus 1 | 2 |
Data from ChEMBL 36 via Core Engine