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Compound Detail

CHEMBL3261421

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Cc1cc(C)c(S(=O)(=O)NC(C)CSc2cccc3c2cnn3-c2ccc(F)cc2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3261421
Phase Preclinical
Structure Type MOL
InChI Key VCCNMRJSVBVZHC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

483.6
MW (Da)
5.55
ALogP
5
HBA
1
HBD
64.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26FN3O2S2
MW 483.63
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.74

Activity Summary

IC50 1 meas. best 8.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
 IC50 8.11 8.11 7.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucocorticoid receptor IC50 = 7.7 nM 8.11 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 3

Data from ChEMBL 36 via Core Engine