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Compound Detail

CHEMBL368536

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COC(=O)c1c(C(=O)O)cc2ccc3c(c2c1-c1ccc2c(c1)OCO2)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL368536
Phase Preclinical
Structure Type MOL
InChI Key COWNXUBPDPJUCF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

394.3
MW (Da)
3.45
ALogP
7
HBA
1
HBD
100.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14O8
MW 394.34
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.51

Literature References

PubMed DOI Target Context # Activities
15658867 10.1021/jm034265a Unchecked 2
15658867 10.1021/jm034265a Hepatitis B virus 1
15658867 10.1021/jm034265a Hepatitis C virus 1
15658867 10.1021/jm034265a Human alphaherpesvirus 1 1
15658867 10.1021/jm034265a Human alphaherpesvirus 2 1
15658867 10.1021/jm034265a Human gammaherpesvirus 4 1
15658867 10.1021/jm034265a MT2 1
15658867 10.1021/jm034265a CCRF-CEM 1

Data from ChEMBL 36 via Core Engine