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Compound Detail

CHEMBL5289872

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Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCOCC(C)(COCCOCCOCCNC(=O)C[C@@H]1N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc31)COC(=O)NCCNc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2

Basic Information

ChEMBL ID CHEMBL5289872
Phase Preclinical
Structure Type MOL
InChI Key LNGAANLDNXHLFJ-UIJPAKTKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1490.6
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C71H82Cl2N14O14S2
MW 1490.56

Activity Summary

IC50 1 meas. best 7.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MV4-11
CHEMBL613835
IC50 7.02 7.02 94.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MV4-11 IC50 = 94.6 nM 7.02 Antiproliferative activity against human MV4-11 cells 35763424

Literature References

PubMed DOI Target Context # Activities
35763424 10.1021/acs.jmedchem.2c00728 MV4-11 1

Data from ChEMBL 36 via Core Engine