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Compound Detail

CHEMBL5592332

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CCCNC(=O)/C(=C/c1ccc2ccccc2c1)CS(=O)(=O)CCC#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5592332
Phase Preclinical
Structure Type MOL
InChI Key CVIWATKVHCCSMR-XMHGGMMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
3.08
ALogP
4
HBA
1
HBD
87.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O3S
MW 370.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
39269610 10.1021/acs.jmedchem.4c01445 NACHT, LRR and PYD domains-containing protein 3 1

Data from ChEMBL 36 via Core Engine