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Compound Detail

CHEMBL2030472

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O=C(O)CS(=O)(=O)c1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2030472
Phase Preclinical
Structure Type MOL
InChI Key GRLCSTMBFKDJRU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
2.27
ALogP
7
HBA
3
HBD
137.8
PSA (Ų)
0.51
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 C16H13NO7S3
MW 427.48
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
22220566 10.1021/jm201118h Unchecked 1

Data from ChEMBL 36 via Core Engine