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Compound Detail

CHEMBL259204

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CCc1cc(-c2ccc3c(c2)CCC3=O)ccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL259204
Phase Preclinical
Structure Type MOL
InChI Key OUYKCUYBKAHHDX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
4.05
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18O2
MW 266.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.11

Literature References

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

Data from ChEMBL 36 via Core Engine