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Compound Detail

CHEMBL383521

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C=CCSCC1=CC(C)(C)Nc2ccc(-c3ccccc3OCC)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL383521
Phase Preclinical
Structure Type MOL
InChI Key QUQXULREKFFAKM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

365.5
MW (Da)
6.26
ALogP
3
HBA
1
HBD
21.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27NOS
MW 365.54
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
16386422 10.1016/j.bmcl.2005.12.043 Glucocorticoid receptor 1
16386422 10.1016/j.bmcl.2005.12.043 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine