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Compound Detail

CHEMBL468662

ROXIAMINE C
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COc1c2ccc(OCC[C@H](C)O)cc2nc2occc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL468662
Name ROXIAMINE C
Phase Preclinical
Structure Type MOL
InChI Key IALIPUQBVDHUND-JTQLQIEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
3.14
ALogP
5
HBA
1
HBD
64.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
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 3
Heavy Atoms 21
NP-Likeness 0.71

Literature References

PubMed DOI Target Context # Activities
8778237 10.1021/np960250m Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine