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Compound Detail

CHEMBL466983

ROXIAMINE A
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COC(=O)[C@@H](C)CCOc1ccc2c(OC)c3ccoc3nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL466983
Name ROXIAMINE A
Phase Preclinical
Structure Type MOL
InChI Key WOPDGNHIWBYEOT-NSHDSACASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.57
ALogP
6
HBA
0
HBD
70.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H19NO5
MW 329.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.52

Literature References

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

Data from ChEMBL 36 via Core Engine