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Compound Detail

CHEMBL260512

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COc1ccc2c(c1)Cc1cc(C(C)=O)ccc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL260512
Phase Preclinical
Structure Type MOL
InChI Key NIBZRLOPEXODLU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

238.3
MW (Da)
3.47
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.64
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 C16H14O2
MW 238.29
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.22

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