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Compound Detail

CHEMBL2313028

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COc1ccc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CNC(=O)OCCS)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2313028
Phase Preclinical
Structure Type MOL
InChI Key UOWNNBIZUZFHQF-LXSFNQHQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

523.6
MW (Da)
1.12
ALogP
11
HBA
7
HBD
167.2
PSA (Ų)
0.19
QED
3
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29NO10S
MW 523.56
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 1.10

Literature References

PubMed DOI Target Context # Activities
23177726 10.1016/j.bmc.2012.10.044 KB 1

Data from ChEMBL 36 via Core Engine