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Compound Detail

CHEMBL4284698

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CNS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4284698
Phase Preclinical
Structure Type MOL
InChI Key WHUORIMWFFPTJG-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
1.57
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N2O3S
MW 318.40
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.37

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
29877709 10.1021/acs.jmedchem.8b00733 NACHT, LRR and PYD domains-containing protein 3 1

Data from ChEMBL 36 via Core Engine