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Compound Detail

CHEMBL474771

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O=C(Nc1nccs1)C1(CCO)CC2c3ccccc3C1c1ccccc12

Basic Information

ChEMBL ID CHEMBL474771
Phase Preclinical
Structure Type MOL
InChI Key YVBACOIBRADANS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
4.13
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N2O2S
MW 376.48
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.32

Activity Summary

Ki 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
Ki 6.52 6.52 303.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19321341 10.1016/j.bmcl.2009.03.006 Glucocorticoid receptor 2

Data from ChEMBL 36 via Core Engine