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Compound Detail

CHEMBL5418658

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O=C(O)C[S+]([O-])c1ccc(OCCOc2cccc(Br)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5418658
Phase Preclinical
Structure Type MOL
InChI Key XXOSNWSTZPAPQT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.3
MW (Da)
3.10
ALogP
4
HBA
1
HBD
78.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15BrO5S
MW 399.26
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.64

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