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Compound Detail

CHEMBL3103238

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O=c1oc2cc(OS(=O)(=O)c3ccccc3)ccc2c2c1CCCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3103238
Phase Preclinical
Structure Type MOL
InChI Key LWRQNXSTZONBSC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
3.83
ALogP
5
HBA
0
HBD
73.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18O5S
MW 370.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
24360561 10.1016/j.bmcl.2013.12.018 RAW264.7 3

Data from ChEMBL 36 via Core Engine