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Compound Detail

CHEMBL4633769

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Cc1ccc(S(=O)(=O)NS(=O)(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4633769
Phase Preclinical
Structure Type MOL
InChI Key BWNQHSLVHWHLBH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
2.61
ALogP
4
HBA
2
HBD
92.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2O4S2
MW 406.53
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
32292543 10.1021/acsmedchemlett.9b00433 NACHT, LRR and PYD domains-containing protein 3 1

Data from ChEMBL 36 via Core Engine