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Compound Detail

CHEMBL4643208

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Cc1ccc(S(=O)(=O)NC(=O)C(=O)c2c3c(cc4c2CCC4)CCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4643208
Phase Preclinical
Structure Type MOL
InChI Key CXQMGZMMPPKKJL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
2.66
ALogP
4
HBA
1
HBD
80.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21NO4S
MW 383.47
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.64

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