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Compound Detail

CHEMBL247599

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COc1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccccc3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL247599
Phase Preclinical
Structure Type MOL
InChI Key BYNLAHCUPZMLFH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
3.61
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25NO4S
MW 411.52
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.13

Activity Summary

Ki 1 meas. best 6.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
 Ki 6.67 6.67 216.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucocorticoid receptor Ki = 216.0 nM 6.67 Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed i... 17822897

Literature References

PubMed DOI Target Context # Activities
17822897 10.1016/j.bmcl.2007.07.055 Glucocorticoid receptor 1

Data from ChEMBL 36 via Core Engine