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Compound Detail

CHEMBL464224

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O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL464224
Phase Preclinical
Structure Type MOL
InChI Key VSUOKLTVXQRUSG-ZFORQUDYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

462.4
MW (Da)
-0.15
ALogP
11
HBA
7
HBD
207.3
PSA (Ų)
0.25
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 C21H18O12
MW 462.36
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 1.77

Literature References

PubMed DOI Target Context # Activities
28248102 10.1021/acs.jnatprod.6b01026 SH-SY5Y 3
33667099 10.1021/acs.jnatprod.0c01121 RAW264.7 2
12502309 10.1021/np020238w Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine