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Compound Detail

CHEMBL5594976

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N#CCCS(=O)(=O)C/C(=C\c1cc2ccccc2o1)C(=O)NC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5594976
Phase Preclinical
Structure Type MOL
InChI Key JQJWLIWOKQELCS-SDNWHVSQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
2.42
ALogP
5
HBA
1
HBD
100.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2O4S
MW 358.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.75

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