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Compound Detail

CHEMBL180419

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O=C([O-])c1cc2c(Cl)cc3c(c2c(-c2ccc4c(c2)OCO4)c1CO)OCO3.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL180419
Phase Preclinical
Structure Type MOL
InChI Key HXHYIYCEVXGTRO-UHFFFAOYSA-M
Parent Compound CHEMBL1206043
Active Moiety CHEMBL1206043
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

400.8
MW (Da)
3.81
ALogP
6
HBA
2
HBD
94.5
PSA (Ų)
0.69
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 C20H12ClNaO7
MW 422.75
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.43

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