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Compound Detail

CHEMBL2152225

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Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@]1(C)C(=O)NC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2152225
Phase Preclinical
Structure Type MOL
InChI Key WRMNTMIZEUMXFM-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.0
MW (Da)
3.64
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H27ClN2O3S
MW 398.96
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 5.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
11-beta-hydroxysteroid dehydrogenase 1
CHEMBL4235
 IC50 5.37 5.37 4300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
11-beta-hydroxysteroid dehydrogenase 1 IC50 = 4300.0 nM 5.37 Inhibition of human 11betaHSD1 by scintillation proximity assay 24900382

Literature References

PubMed DOI Target Context # Activities
24900382 10.1021/ml300144n 11-beta-hydroxysteroid dehydrogenase 1 2

Data from ChEMBL 36 via Core Engine