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Compound Detail

CHEMBL357283

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Oc1ccc(C(=C(CC(F)(F)F)c2ccccc2)c2ccc(O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL357283
Phase Preclinical
Structure Type MOL
InChI Key WAOZHMBQSJUJOL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
6.01
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17F3O2
MW 370.37
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.14

Activity Summary

IC50 1 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor
CHEMBL206
 IC50 8.05 8.05 9.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Estrogen receptor IC50 = 9.0 nM 8.05 Antiestrogenic activity in MCF-7-2a cells as concentration required to reduce es... 12431063

Literature References

PubMed DOI Target Context # Activities
12431063 10.1021/jm0209230 Estrogen receptor 3
12431063 10.1021/jm0209230 Mus musculus 1

Data from ChEMBL 36 via Core Engine