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Compound Detail

CHEMBL1207926

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COc1ccc(-c2oc3cc(OS(=O)(=O)O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207926
Phase Preclinical
Structure Type MOL
InChI Key HDCDAUMQECHFOE-LFXZADKFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

558.5
MW (Da)
-0.76
ALogP
14
HBA
7
HBD
242.9
PSA (Ų)
0.18
QED
3
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H22O15S
MW 558.47
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness 1.87

Data from ChEMBL 36 via Core Engine