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Compound Detail

CHEMBL1208355

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Cc1ccc2sc(COC3=C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]3O)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1208355
Phase Preclinical
Structure Type MOL
InChI Key BNUWPGVZRDEWEX-ISTRZQFTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
1.55
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18O6S
MW 350.39
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.16

Data from ChEMBL 36 via Core Engine