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Compound Detail

CHEMBL3629050

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CC(=O)N(CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3629050
Phase Preclinical
Structure Type MOL
InChI Key HFXXBGWEPLEDTP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

539.6
MW (Da)
4.80
ALogP
6
HBA
1
HBD
110.2
PSA (Ų)
0.33
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33NO7S
MW 539.65
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
26482570 10.1016/j.bmc.2015.10.011 Free fatty acid receptor 1 2
26482570 10.1016/j.bmc.2015.10.011 No relevant target 1

Data from ChEMBL 36 via Core Engine