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Compound Detail

CHEMBL393265

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O=C1C=C2CCN(S(=O)(=O)Nc3ccccc3)CC2(Cc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL393265
Phase Preclinical
Structure Type MOL
InChI Key YKNVTGOETLBLFO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
3.57
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.84
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 C22H24N2O3S
MW 396.51
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.03

Activity Summary

Ki 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
 Ki 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucocorticoid receptor Ki = 1200.0 nM 5.92 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