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Compound Detail

CHEMBL1651959

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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](Cc1cnc[nH]1)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](CCS)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[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
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1651959
Phase Preclinical
Structure Type BOTH
InChI Key CZNPDUYQNDWOOE-VWYUOXCMSA-N
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

4234.6
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C183H278N50O64S
MW 4234.59

Activity Summary

EC50 7 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
 EC50 8.64 8.0686 2.3 7

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 EC50 = 2.3 nM 8.64 Antiviral activity against enfuvirtide-resistant Human immunodeficiency virus 1 ... 19114674
Human immunodeficiency virus 1 EC50 = 2.3 nM 8.64 Antiviral activity against enfuvirtide-resistant Human immunodeficiency virus 1 ... 19114674
Human immunodeficiency virus 1 EC50 = 4.4 nM 8.36 Antiviral activity against enfuvirtide-resistant Human immunodeficiency virus 1 ... 19114674
Human immunodeficiency virus 1 EC50 = 7.0 nM 8.15 Antiviral activity against enfuvirtide-resistant Human immunodeficiency virus 1 ... 19114674
Human immunodeficiency virus 1 EC50 = 7.9 nM 8.1 Antiviral activity against enfuvirtide-resistant Human immunodeficiency virus 1 ... 19114674
Human immunodeficiency virus 1 EC50 = 15.0 nM 7.82 Antiviral activity against enfuvirtide-resistant Human immunodeficiency virus 1 ... 19114674
Human immunodeficiency virus 1 EC50 = 171.0 nM 6.77 Antiviral activity against enfuvirtide-resistant Human immunodeficiency virus 1 ... 19114674

Literature References

PubMed DOI Target Context # Activities
19114674 10.1128/aac.01211-08 Human immunodeficiency virus 1 13

Data from ChEMBL 36 via Core Engine