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Compound Detail

CHEMBL5283195

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CCCCCCCCCCCCCC(=O)NCCCC(=O)N(CC(=O)Nc1cccc(Sc2ccc(Br)cc2NC(=O)CCN2CCN(C)CC2)c1)C(=O)Nc1ccccc1Sc1ccc(Br)cc1NC(=O)CCN1CCN(C)CC1

Basic Information

ChEMBL ID CHEMBL5283195
Phase Preclinical
Structure Type MOL
InChI Key OYXARWFANMQAPH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1277.3
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C61H84Br2N10O6S2
MW 1277.35

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanothione reductase
CHEMBL5131
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanothione reductase IC50 = 200.0 nM 6.7 Inhibition of Trypanosoma cruzi TryR 28886510

Literature References

PubMed DOI Target Context # Activities
28886510 10.1016/j.ejmech.2017.08.014 Trypanothione reductase 1

Data from ChEMBL 36 via Core Engine