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Compound Detail

CHEMBL5409132

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O=C(O)C[S+]([O-])c1ccc(OC2CCc3c(Cl)cccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5409132
Phase Preclinical
Structure Type MOL
InChI Key XNTYVLYCLYHLJH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.8
MW (Da)
3.60
ALogP
3
HBA
1
HBD
69.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15ClO4S
MW 350.82
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.06

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