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Compound Detail

CHEMBL110057

TRIOXIFENE
🧪 Phase II
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🧪 Phase II
COc1ccc(C2=C(C(=O)c3ccc(OCCN4CCCC4)cc3)c3ccccc3CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL110057
Name TRIOXIFENE
Phase Phase II
Structure Type MOL
InChI Key IHGLINDYFMDHJG-UHFFFAOYSA-N

Known Names

Trioxifene Trioxifeno
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
2
Known Names

Molecular Properties

453.6
MW (Da)
5.91
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -ifene
USAN Year 1979

Extended Properties

Molecular Formula C30H31NO3
MW 453.58
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
2258908 10.1021/jm00174a020 Estrogen receptor 4
2258908 10.1021/jm00174a020 Anti-estrogen binding site (AEBS) 1

Data from ChEMBL 36 via Core Engine