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Compound Detail

CHEMBL3629054

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Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(N(CC(=O)O)C(=O)c3ccoc3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3629054
Phase Preclinical
Structure Type MOL
InChI Key GXLMIEULRPPKSC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

591.7
MW (Da)
5.69
ALogP
7
HBA
1
HBD
123.3
PSA (Ų)
0.20
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H33NO8S
MW 591.68
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.69

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