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Compound Detail

CHEMBL250055

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O[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@@H]2O)[C@H]3C1)OCO5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL250055
Phase Preclinical
Structure Type MOL
InChI Key KWAOMPWGIIXDPH-BWAGICSOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
0.53
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H17NO4
MW 287.31
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 2.45

Literature References

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

Data from ChEMBL 36 via Core Engine