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Compound Detail

CHEMBL3403296

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CC(=O)OCc1c(C2CCCCC2)oc2ccc(NS(=O)(=O)c3ccccc3)cc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3403296
Phase Preclinical
Structure Type MOL
InChI Key GNDQVGTUKIFEGK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

455.5
MW (Da)
4.70
ALogP
6
HBA
1
HBD
102.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25NO6S
MW 455.53
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
25865130 10.1016/j.bmc.2015.03.045 Interleukin-5 2

Data from ChEMBL 36 via Core Engine