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Compound Detail

CHEMBL5080442

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O=[N+]([O-])CCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5080442
Phase Preclinical
Structure Type MOL
InChI Key ZHVLPKFAODFQST-BMVMOQKNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

461.4
MW (Da)
-2.85
ALogP
12
HBA
6
HBD
201.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H27NO12
MW 461.42
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 1.49

Literature References

PubMed DOI Target Context # Activities
34910498 10.1021/acs.jnatprod.1c00980 Acetylcholinesterase 4
34910498 10.1021/acs.jnatprod.1c00980 Cholinesterase 2

Data from ChEMBL 36 via Core Engine