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Compound Detail

CHEMBL2377210

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N#Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc4ncccc4n3)cc2)cc1

Basic Information

ChEMBL ID CHEMBL2377210
Phase Preclinical
Structure Type MOL
InChI Key YRGNSWPETKWGFR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
3.97
ALogP
5
HBA
1
HBD
95.7
PSA (Ų)
0.57
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 C21H14N4O2S
MW 386.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.65

Activity Summary

EC50 1 meas. best 7.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
11-beta-hydroxysteroid dehydrogenase 1
CHEMBL4235
EC50 7.14 7.14 72.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
11-beta-hydroxysteroid dehydrogenase 1 EC50 = 72.0 nM 7.14 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