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Compound Detail

CHEMBL5181707

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CC(F)(F)c1cc(F)ccc1-c1sc2cc(B(O)O)ccc2c1Oc1ccc(OCCN2CCC(F)CC2)cc1

Basic Information

ChEMBL ID CHEMBL5181707
Phase Preclinical
Structure Type MOL
InChI Key OXRJXXXLUBQECL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

573.4
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28BF4NO4S
MW 573.42

Activity Summary

IC50 1 meas. best 7.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MCF7
CHEMBL387
IC50 7.71 7.71 19.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MCF7 IC50 = 19.4 nM 7.71 Antiproliferative activity against human MCF7 cells assessed as inhibition of ce... 35357160

Literature References

PubMed DOI Target Context # Activities
35357160 10.1021/acs.jmedchem.2c00008 Estrogen receptor 2
35357160 10.1021/acs.jmedchem.2c00008 MCF7 1

Data from ChEMBL 36 via Core Engine