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Compound Detail

CHEMBL1651961

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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(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 CHEMBL1651961
Phase Preclinical
Structure Type BOTH
InChI Key TWWUWHFEQYWPKL-AGBMLAAGSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

4105.5
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C178H271N49O61S
MW 4105.47

Activity Summary

EC50 4 meas. best 7.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
 EC50 7.28 6.7275 52.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 EC50 = 52.0 nM 7.28 Antiviral activity against enfuvirtide-resistant Human immunodeficiency virus 1 ... 19114674
Human immunodeficiency virus 1 EC50 = 192.0 nM 6.72 Antiviral activity against enfuvirtide-resistant Human immunodeficiency virus 1 ... 19114674
Human immunodeficiency virus 1 EC50 = 245.0 nM 6.61 Antiviral activity against enfuvirtide-resistant Human immunodeficiency virus 1 ... 19114674
Human immunodeficiency virus 1 EC50 = 504.0 nM 6.3 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