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Compound Detail

CHEMBL2030474

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CCOc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2030474
Phase Preclinical
Structure Type MOL
InChI Key LGZLWCDGXVHXKW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
3.81
ALogP
5
HBA
2
HBD
75.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15NO4S2
MW 349.43
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.51

Literature References

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

Data from ChEMBL 36 via Core Engine