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Compound Detail

CHEMBL1208354

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O=C(O)[C@]1(O)C=C(OCc2cc3ccccc3s2)[C@@H](O)[C@H](O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1208354
Phase Preclinical
Structure Type MOL
InChI Key SLWSCMYOLNIMDK-DIOULYMOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
1.24
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 C16H16O6S
MW 336.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.27

Data from ChEMBL 36 via Core Engine