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Compound Detail

CHEMBL458684

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O=C(OC[C@H]1OC(O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL458684
Phase Preclinical
Structure Type MOL
InChI Key BEBILMUEQSTMNU-HMGWZPSWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

484.4
MW (Da)
-1.26
ALogP
14
HBA
9
HBD
243.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H20O14
MW 484.37
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 1.37

Literature References

PubMed DOI Target Context # Activities
9834152 10.1021/np9801458 Prothrombin 4
9834152 10.1021/np9801458 Plasma 3

Data from ChEMBL 36 via Core Engine