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Compound Detail

CHEMBL251229

STEPHARANINE
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COc1cc2c(cc1O)-c1cc3ccc(O)c(OC)c3c[n+]1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL251229
Name STEPHARANINE
Phase Preclinical
Structure Type MOL
InChI Key BENXORZPKXUGMY-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
2.78
ALogP
4
HBA
2
HBD
62.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H18NO4+
MW 324.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 1.76

Literature References

PubMed DOI Target Context # Activities
17994701 10.1021/np0704248 Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine