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Compound Detail

CHEMBL523284

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CN(C)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL523284
Phase Preclinical
Structure Type MOL
InChI Key WTOCKYBLKDBFDB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
3.49
ALogP
5
HBA
1
HBD
86.1
PSA (Ų)
0.73
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 C20H18N4O2S
MW 378.46
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.60

Activity Summary

EC50 1 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
11-beta-hydroxysteroid dehydrogenase 1
CHEMBL4235
 EC50 6.07 6.07 846.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
11-beta-hydroxysteroid dehydrogenase 1 EC50 = 846.0 nM 6.07 Inhibition of human 11beta-HSD1 in HEK293 cells 19473839

Literature References

PubMed DOI Target Context # Activities
19473839 10.1016/j.bmcl.2009.05.011 11-beta-hydroxysteroid dehydrogenase 1 2

Data from ChEMBL 36 via Core Engine