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Compound Detail

CHEMBL3353744

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Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OC(C)(C)C(=O)O)c(F)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3353744
Phase Preclinical
Structure Type MOL
InChI Key BGXWTSFJQJRSNR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

544.6
MW (Da)
5.74
ALogP
6
HBA
1
HBD
99.1
PSA (Ų)
0.29
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33FO7S
MW 544.64
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
25481394 10.1016/j.bmc.2014.11.016 Free fatty acid receptor 1 2

Data from ChEMBL 36 via Core Engine