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Compound Detail

CHEMBL2030476

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CN(C)C(=O)CCSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2030476
Phase Preclinical
Structure Type MOL
InChI Key XMADQXBOEMQGTN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.6
MW (Da)
3.98
ALogP
6
HBA
2
HBD
86.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N2O4S3
MW 436.58
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.91

Literature References

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

Data from ChEMBL 36 via Core Engine