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Compound Detail

CHEMBL2377206

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Cc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)nc1C

Basic Information

ChEMBL ID CHEMBL2377206
Phase Preclinical
Structure Type MOL
InChI Key PUZJTIRBRVVVSX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
4.04
ALogP
4
HBA
1
HBD
82.8
PSA (Ų)
0.76
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 C20H17N3O2S
MW 363.44
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.49

Activity Summary

EC50 1 meas. best 6.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
11-beta-hydroxysteroid dehydrogenase 1
CHEMBL4235
EC50 6.67 6.67 213.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
11-beta-hydroxysteroid dehydrogenase 1 EC50 = 213.0 nM 6.67 Inhibition of 11beta-HSD1 in human HEK293 cells 23489629

Literature References

PubMed DOI Target Context # Activities
23489629 10.1016/j.bmcl.2013.02.066 Liver microsomes 1
23489629 10.1016/j.bmcl.2013.02.066 11-beta-hydroxysteroid dehydrogenase 1 1

Data from ChEMBL 36 via Core Engine