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Compound Detail

CHEMBL607716

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O=c1ccc2ccc(O[C@@H]3O[C@H](COC4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL607716
Phase Preclinical
Structure Type MOL
InChI Key SXPBJYHKMRWZNA-JYSIITFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

456.4
MW (Da)
-2.56
ALogP
12
HBA
6
HBD
188.5
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H24O12
MW 456.40
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 2.13

Literature References

PubMed DOI Target Context # Activities
9873511 10.1016/s0960-894x(98)00391-6 Rattus norvegicus 2
9873511 10.1016/s0960-894x(98)00391-6 Mus musculus 2

Data from ChEMBL 36 via Core Engine