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Compound Detail

CHEMBL175605

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NC(=O)c1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1C(N)=O)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL175605
Phase Preclinical
Structure Type MOL
InChI Key VPLWECLVOOTJKG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

378.3
MW (Da)
2.16
ALogP
6
HBA
2
HBD
123.1
PSA (Ų)
0.72
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 C20H14N2O6
MW 378.34
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.22

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