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Compound Detail

CHEMBL5202286

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CC(F)(F)c1cc(F)ccc1-c1sc2cc(B(O)O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1

Basic Information

ChEMBL ID CHEMBL5202286
Phase Preclinical
Structure Type MOL
InChI Key QCAFGHDDJZAYBF-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

559.4
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26BF4NO4S
MW 559.39

Activity Summary

EC50 1 meas. best 8.92
IC50 1 meas. best 8.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor
CHEMBL206
EC50 8.92 8.92 1.2 1
MCF7
CHEMBL387
IC50 8.72 8.72 1.9 1

Activity Data Samples

Top measurements by pChEMBL value

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