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Compound Detail

CHEMBL5177351

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Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1

Basic Information

ChEMBL ID CHEMBL5177351
Phase Preclinical
Structure Type MOL
InChI Key SLPWRCRRHVRNRM-DQHNISQXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

1016.7
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C50H62ClN9O8S2
MW 1016.69

Activity Summary

EC50 1 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 4
CHEMBL4296140
EC50 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35916496 10.1021/acs.jmedchem.2c00875 von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 4 2
35916496 10.1021/acs.jmedchem.2c00875 MCF7 1

Data from ChEMBL 36 via Core Engine