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Compound Detail

CHEMBL250866

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COc1cc2c(c(OC)c1OC)C(=O)O[C@@H]1CC=C3CCN(C)[C@H]3[C@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL250866
Phase Preclinical
Structure Type MOL
InChI Key OXFLPPXWFHSXSK-XNRPHZJLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
2.37
ALogP
6
HBA
0
HBD
57.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H23NO5
MW 345.40
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 2.01

Literature References

PubMed DOI Target Context # Activities
17822295 10.1021/np0702077 Tobacco mosaic virus 1
17822295 10.1021/np0702077 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine