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Compound Detail

CHEMBL4075054

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O=C1CC(c2cc(O)cc(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4075054
Phase Preclinical
Structure Type MOL
InChI Key DCTQXNWQTLOMPD-RGHIGTIISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

450.4
MW (Da)
-0.31
ALogP
11
HBA
7
HBD
186.4
PSA (Ų)
0.32
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H22O11
MW 450.40
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 2.26

Literature References

PubMed DOI Target Context # Activities
28911817 10.1016/j.bmcl.2017.08.047 BV-2 1

Data from ChEMBL 36 via Core Engine