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Compound Detail

CHEMBL4442523

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CCOC(=O)CCc1cc(NS(=O)(=O)c2cccs2)c2c(c1O)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4442523
Phase Preclinical
Structure Type MOL
InChI Key NXNNODJCOFSBPJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
2.48
ALogP
8
HBA
2
HBD
111.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17NO7S2
MW 399.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine