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Compound Detail

CHEMBL427384

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CNC(=O)CSCC1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL427384
Phase Preclinical
Structure Type MOL
InChI Key SCWIKFNMEGPEFY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
4.43
ALogP
4
HBA
2
HBD
50.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N2O2S
MW 382.53
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.55

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