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Compound Detail

CHEMBL490522

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CC1(C)O[C@H]2[C@@H]3NC(=O)c4cc5c(cc4[C@H]3C[C@H](O)[C@H]2O1)OCO5

Basic Information

ChEMBL ID CHEMBL490522
Phase Preclinical
Structure Type MOL
InChI Key QVWYYXPLQZHYHP-MTVVJKOXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

333.3
MW (Da)
0.90
ALogP
6
HBA
2
HBD
86.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19NO6
MW 333.34
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.87

Literature References

PubMed DOI Target Context # Activities
16441059 10.1021/np058068l P388 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