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Compound Detail

CHEMBL490147

LYCORICIDINE TRIACETATE
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CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)C=C2c3cc4c(cc3C(=O)N[C@H]21)OCO4

Basic Information

ChEMBL ID CHEMBL490147
Name LYCORICIDINE TRIACETATE
Phase Preclinical
Structure Type MOL
InChI Key UYVVJANCFXPLCX-MANSERQUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

417.4
MW (Da)
0.72
ALogP
9
HBA
1
HBD
126.5
PSA (Ų)
0.56
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 C20H19NO9
MW 417.37
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 1.48

Literature References

PubMed DOI Target Context # Activities
1336040 10.1021/np50089a003 Japanese encephalitis virus 1
1336040 10.1021/np50089a003 Yellow fever virus 1
1336040 10.1021/np50089a003 dengue virus type 4 1
1336040 10.1021/np50089a003 Punta Toro virus 1
1336040 10.1021/np50089a003 Rift Valley fever virus 1
1336040 10.1021/np50089a003 Sandfly fever Sicilian virus 1
16441059 10.1021/np058068l P388 1
16441059 10.1021/np058068l BXPC-3 1
16441059 10.1021/np058068l MCF7 1
16441059 10.1021/np058068l NON-PROTEIN TARGET 1
16441059 10.1021/np058068l KM-20L2 1
16441059 10.1021/np058068l DU-145 1
16441059 10.1021/np058068l NCI-H460 1
23511018 10.1016/j.bmcl.2013.02.089 Unchecked 1
23511018 10.1016/j.bmcl.2013.02.089 Hepatitis C virus 1
23511018 10.1016/j.bmcl.2013.02.089 ADMET 1

Data from ChEMBL 36 via Core Engine