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Compound Detail

CHEMBL1794824

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C#C[C@@H](O)C12CCCC1C1CCC3=CC(=O)CC[C@@H]3C1CC2.C#C[C@H](O)C12CCCC1C1CCC3=CC(=O)CC[C@@H]3C1CC2

Basic Information

ChEMBL ID CHEMBL1794824
Phase Preclinical
Structure Type MOL
InChI Key WFQJHWCFXUBQEJ-JFTSXWEUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

596.9
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H52O4
MW 596.85

Activity Summary

Kd 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor
CHEMBL2094114
Kd 6.8 6.8 160.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Estrogen receptor Kd = 160.0 nM 6.8 Equilibrium dissociation constant for rat uterine estrogen receptor binding [3H]... 6471068

Literature References

PubMed DOI Target Context # Activities
6471068 10.1021/jm00375a008 Progesterone receptor 1
6471068 10.1021/jm00375a008 Estrogen receptor 1

Data from ChEMBL 36 via Core Engine