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Compound Detail

CHEMBL185877

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COC(=O)c1ccc2oc(C34CC5CC(CC(C5)C3)C4)cc(=O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL185877
Phase Preclinical
Structure Type MOL
InChI Key HYOJJXADACTQIE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
4.05
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.78
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 C21H22O4
MW 338.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
15293998 10.1021/jm0407916 Steryl-sulfatase 2
26974384 10.1016/j.ejmech.2016.02.054 Steryl-sulfatase 2

Data from ChEMBL 36 via Core Engine