Compound Detail
CHEMBL4474461
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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](CCC(=O)O)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](CCCNC(=N)N)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(=O)O)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 | CHEMBL4474461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZQAJXCSMQILLA-VZAMYNNQSA-N |
2
Targets
28
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
2759.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 28 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.39 | 7.2158 | 4.1 | 24 |
| Envelope glycoprotein gp160 CHEMBL1293311 | EC50 | 8.15 | 8.06 | 7.1 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31513410 | 10.1021/acs.jmedchem.9b00882 | Human immunodeficiency virus 1 | 60 |
| 31513410 | 10.1021/acs.jmedchem.9b00882 | Envelope glycoprotein gp160 | 15 |
| 31513410 | 10.1021/acs.jmedchem.9b00882 | ADMET | 3 |
| 31513410 | 10.1021/acs.jmedchem.9b00882 | TZM | 1 |
| 31513410 | 10.1021/acs.jmedchem.9b00882 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine