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Compound Detail

CHEMBL2094068

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CSc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2094068
Phase Preclinical
Structure Type MOL
InChI Key ZBNJAYPJNXDFJJ-IRCOFANPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

365.2
MW (Da)
1.68
ALogP
7
HBA
3
HBD
87.7
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 C13H14Cl2N2O4S
MW 365.24
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
8071942 10.1021/jm00044a015 Human betaherpesvirus 5 2
9575044 10.1021/jm970545c Human betaherpesvirus 5 1
9575044 10.1021/jm970545c Human alphaherpesvirus 1 1
9575044 10.1021/jm970545c Homo sapiens 1
9575044 10.1021/jm970545c KB 1

Data from ChEMBL 36 via Core Engine