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Compound Detail

CHEMBL4280751

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COc1c(/C=C/C(=O)O)cc(NS(=O)(=O)c2cccs2)c2c1OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4280751
Phase Preclinical
Structure Type MOL
InChI Key MFEDLAIGUFOVMK-SNAWJCMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
2.38
ALogP
7
HBA
2
HBD
111.2
PSA (Ų)
0.74
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 C15H13NO7S2
MW 383.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.78

Data from ChEMBL 36 via Core Engine