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Compound Detail

CHEMBL3261398

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Cc1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](C)COc1cccc2ncccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3261398
Phase Preclinical
Structure Type MOL
InChI Key UZPWTPWMSHGTPC-ZDUSSCGKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.3
MW (Da)
4.60
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.63
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 C19H18Cl2N2O3S
MW 425.34
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.57

Activity Summary

IC50 1 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
 IC50 6.66 6.66 220.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucocorticoid receptor IC50 = 220.0 nM 6.66 Binding affinity to human glucocorticoid receptor by fluorescence polarization a... 24755427

Literature References

PubMed DOI Target Context # Activities
24755427 10.1016/j.bmcl.2014.03.070 Glucocorticoid receptor 2

Data from ChEMBL 36 via Core Engine