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Compound Detail

CHEMBL2403344

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CCCCC(CCCC)(c1ccc(O)c(CCC)c1)c1ccc(O)c(CCC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2403344
Phase Preclinical
Structure Type MOL
InChI Key FDDDDMXSQBPCIN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

396.6
MW (Da)
7.67
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H40O2
MW 396.62
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.17

Literature References

PubMed DOI Target Context # Activities
23768907 10.1016/j.bmcl.2013.05.067 Estrogen receptor beta 2
23768907 10.1016/j.bmcl.2013.05.067 Estrogen receptor 2

Data from ChEMBL 36 via Core Engine