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Compound Detail

CHEMBL4291817

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COc1c(/C=C/CO)cc(NS(=O)(=O)c2cccs2)c2c1OCCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4291817
Phase Preclinical
Structure Type MOL
InChI Key JIGJFPCTLQSEHK-DUXPYHPUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
2.33
ALogP
7
HBA
2
HBD
94.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17NO6S2
MW 383.45
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.69

Data from ChEMBL 36 via Core Engine