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Compound Detail

CHEMBL3815227

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CC(C)CO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3815227
Phase Preclinical
Structure Type MOL
InChI Key LYCPXSZZYNJFNG-ZMMGOBLDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
-1.90
ALogP
6
HBA
5
HBD
110.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H27O6S+
MW 311.42
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 2.23

Data from ChEMBL 36 via Core Engine