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Compound Detail

CHEMBL1669313

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O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1-c1cn(-c2ccc([N+](=O)[O-])cc2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1669313
Phase Preclinical
Structure Type MOL
InChI Key VPTIUHQKRGYERK-RRFJBIMHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
19
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
-0.67
ALogP
11
HBA
3
HBD
178.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N6O7
MW 416.35
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
21232828 10.1016/j.ejmech.2010.12.017 Vesicular stomatitis virus 2
21232828 10.1016/j.ejmech.2010.12.017 Influenza A virus 2
21232828 10.1016/j.ejmech.2010.12.017 HEL 2
21232828 10.1016/j.ejmech.2010.12.017 Human betaherpesvirus 5 2
21232828 10.1016/j.ejmech.2010.12.017 Human alphaherpesvirus 3 2
21232828 10.1016/j.ejmech.2010.12.017 Human alphaherpesvirus 1 2
21232828 10.1016/j.ejmech.2010.12.017 Vaccinia virus 1
21232828 10.1016/j.ejmech.2010.12.017 Human alphaherpesvirus 2 1
21232828 10.1016/j.ejmech.2010.12.017 HeLa 1
21232828 10.1016/j.ejmech.2010.12.017 CCRF-CEM 1
21232828 10.1016/j.ejmech.2010.12.017 L1210 1
21232828 10.1016/j.ejmech.2010.12.017 Human immunodeficiency virus 2 1
21232828 10.1016/j.ejmech.2010.12.017 Human immunodeficiency virus 1 1
21232828 10.1016/j.ejmech.2010.12.017 Coxsackievirus B4 1
21232828 10.1016/j.ejmech.2010.12.017 Punta Toro virus 1
21232828 10.1016/j.ejmech.2010.12.017 Sindbis virus 1
21232828 10.1016/j.ejmech.2010.12.017 Mammalian orthoreovirus 1 1
21232828 10.1016/j.ejmech.2010.12.017 Human respirovirus 3 1
21232828 10.1016/j.ejmech.2010.12.017 Influenza B virus 1

Data from ChEMBL 36 via Core Engine