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Compound Detail

CHEMBL175857

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CCOC(=O)c1c(C(=O)OCC)c(-c2ccc3c(c2)OCO3)c2c3c(ccc2c1OC)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL175857
Phase Preclinical
Structure Type MOL
InChI Key CIUBUBZYXHITSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

466.4
MW (Da)
4.33
ALogP
9
HBA
0
HBD
98.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22O9
MW 466.44
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 0.43

Literature References

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

Data from ChEMBL 36 via Core Engine