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Compound Detail

CHEMBL263695

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CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)Nc1ccccc1C1CC1)C(c1ccccc1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL263695
Phase Preclinical
Structure Type MOL
InChI Key SAVFZQZSNVYHQD-HWEVAMLISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1028.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C52H65N7O13S
MW 1028.20

Activity Summary

IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus serine protease, NS3/NS4A
CHEMBL2095231
IC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus serine protease, NS3/NS4A IC50 = 1500.0 nM 5.82 Inhibitory activity against Hepatitis C NS3/NS4A protease 12540231

Literature References

PubMed DOI Target Context # Activities
12540231 10.1021/jm025594q Hepatitis C virus serine protease, NS3/NS4A 1

Data from ChEMBL 36 via Core Engine