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Compound Detail

CHEMBL512532

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Cc1cc(-c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)ccc1NS(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL512532
Phase Preclinical
Structure Type MOL
InChI Key JDIKGJXBVUJVIH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

492.6
MW (Da)
5.57
ALogP
4
HBA
2
HBD
92.3
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 C26H24N2O4S2
MW 492.62
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
18533708 10.1021/jm800054h 11-beta-hydroxysteroid dehydrogenase 1 2
18533708 10.1021/jm800054h 17-beta-hydroxysteroid dehydrogenase type 1 2
18533708 10.1021/jm800054h 17-beta-hydroxysteroid dehydrogenase type 2 1
18533708 10.1021/jm800054h 17-beta-hydroxysteroid dehydrogenase type 3 1
18533708 10.1021/jm800054h Aldo-keto reductase family 1 member C3 1

Data from ChEMBL 36 via Core Engine