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Compound Detail

CHEMBL2403352

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CCCc1cc(C(CC)(CC)c2ccc(O)c(CCC)c2)ccc1O

Basic Information

ChEMBL ID CHEMBL2403352
Phase Preclinical
Structure Type MOL
InChI Key RLOFJEMYTQIVRZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.5
MW (Da)
6.11
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.61
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32O2
MW 340.51
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.16

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