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Compound Detail

CHEMBL5435028

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Cc1cc(-c2cccc(COc3ccc([S+]([O-])CC(=O)O)cc3)c2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5435028
Phase Preclinical
Structure Type MOL
InChI Key SZOILRNKUCCHCD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
3.83
ALogP
4
HBA
1
HBD
82.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19NO4S
MW 381.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
36933395 10.1016/j.ejmech.2023.115267 Free fatty acid receptor 1 1

Data from ChEMBL 36 via Core Engine