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Compound Detail

CHEMBL5086331

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O=c1c2ccccc2sn1S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5086331
Phase Preclinical
Structure Type MOL
InChI Key KBXKBYBKNKXPLK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
2.30
ALogP
5
HBA
0
HBD
56.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9NO3S2
MW 291.35
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
35099959 10.1021/acs.jmedchem.1c02102 Unchecked 2

Data from ChEMBL 36 via Core Engine