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Compound Detail

CHEMBL261844

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COc1ccc(-c2ccc3c(c2)CCCC3=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL261844
Phase Preclinical
Structure Type MOL
InChI Key YPDULORUIDBQEL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
3.88
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16O2
MW 252.31
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.12

Literature References

PubMed DOI Target Context # Activities
18329273 10.1016/j.bmc.2008.02.059 17-beta-hydroxysteroid dehydrogenase type 1 2

Data from ChEMBL 36 via Core Engine