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Compound Detail

CHEMBL3245950

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Nc1cc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1

Basic Information

ChEMBL ID CHEMBL3245950
Phase Preclinical
Structure Type MOL
InChI Key JJXPEDPBLSOWRJ-MGUDNFKCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
-2.08
ALogP
8
HBA
5
HBD
146.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14N4O5
MW 282.26
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 1.14

Literature References

PubMed DOI Target Context # Activities
722730 10.1021/jm00210a008 Influenza B virus 3
722730 10.1021/jm00210a008 Ehrlich 2
722730 10.1021/jm00210a008 KB 2
6092634 10.1021/jm00377a002 L1210 1
722730 10.1021/jm00210a008 Trichophyton mentagrophytes 1
722730 10.1021/jm00210a008 Human respirovirus 3 1
722730 10.1021/jm00210a008 Vaccinia virus 1
722730 10.1021/jm00210a008 Human alphaherpesvirus 2 1
722730 10.1021/jm00210a008 Human alphaherpesvirus 1 1
6827548 10.1021/jm00356a034 L1210 1
6092634 10.1021/jm00377a002 P388 1
3093681 10.1021/jm00160a040 Purine nucleoside phosphorylase 1
6092634 10.1021/jm00377a002 Vesicular stomatitis virus 1
6092634 10.1021/jm00377a002 Human respirovirus 3 1
6092634 10.1021/jm00377a002 Vaccinia virus 1
6092634 10.1021/jm00377a002 Human alphaherpesvirus 1 1
6092634 10.1021/jm00377a002 ADMET 1
2539476 10.1021/jm00124a005 Human adenovirus 2 1
2539476 10.1021/jm00124a005 Human alphaherpesvirus 2 1
2539476 10.1021/jm00124a005 Human rhinovirus 1A 1

Data from ChEMBL 36 via Core Engine