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Compound Detail

CHEMBL4474905

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O=C1COC(=O)N1/C=C/c1cc(NS(=O)(=O)c2cccs2)c2c(c1O)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4474905
Phase Preclinical
Structure Type MOL
InChI Key LLQKYCITHDSEFU-ONEGZZNKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

424.4
MW (Da)
1.93
ALogP
9
HBA
2
HBD
131.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N2O8S2
MW 424.41
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.72

Data from ChEMBL 36 via Core Engine