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Compound Detail

CHEMBL5590194

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N#CCCS(=O)(=O)C/C(=C\c1ccc(Cl)cc1)C(=O)N1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5590194
Phase Preclinical
Structure Type MOL
InChI Key ZFMTYZABKRCDEX-NTCAYCPXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.9
MW (Da)
2.67
ALogP
4
HBA
0
HBD
78.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19ClN2O3S
MW 366.87
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.07

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