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Compound Detail

CHEMBL58741

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CN(CCc1ccccc1)c1cc(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL58741
Phase Preclinical
Structure Type MOL
InChI Key SEAGICQGKLIWII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
5.51
ALogP
4
HBA
2
HBD
56.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N2O2
MW 396.49
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
11459665 10.1016/s0960-894x(01)00321-3 Estrogen receptor 1
11459665 10.1016/s0960-894x(01)00321-3 Estrogen receptor beta 1

Data from ChEMBL 36 via Core Engine