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Compound Detail

CHEMBL378586

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C=CCSCC1=CC(C)(C)Nc2ccc(-c3ccccc3C)cc21

Basic Information

ChEMBL ID CHEMBL378586
Phase Preclinical
Structure Type MOL
InChI Key XGRMFSAZDRLISN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

335.5
MW (Da)
6.17
ALogP
2
HBA
1
HBD
12.0
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25NS
MW 335.52
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.15

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