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Compound Detail

CHEMBL3786058

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C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(OC)nc(Cl)nc32)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3786058
Phase Preclinical
Structure Type MOL
InChI Key ZVHCBDQGGSPELE-HUHPYQOSSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names

Molecular Properties

340.7
MW (Da)
-0.90
ALogP
9
HBA
3
HBD
122.8
PSA (Ų)
0.49
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 C13H13ClN4O5
MW 340.72
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.64

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
26965865 10.1016/j.bmcl.2016.03.005 Human alphaherpesvirus 1 2
26965865 10.1016/j.bmcl.2016.03.005 Human betaherpesvirus 5 2
26965865 10.1016/j.bmcl.2016.03.005 Human alphaherpesvirus 2 2
26965865 10.1016/j.bmcl.2016.03.005 Human immunodeficiency virus 1 2
26965865 10.1016/j.bmcl.2016.03.005 Influenza A virus 2
26965865 10.1016/j.bmcl.2016.03.005 HeLa 1
26965865 10.1016/j.bmcl.2016.03.005 CCRF-CEM 1
26965865 10.1016/j.bmcl.2016.03.005 L1210 1
26965865 10.1016/j.bmcl.2016.03.005 Human immunodeficiency virus 2 1
26965865 10.1016/j.bmcl.2016.03.005 Punta Toro virus 1
26965865 10.1016/j.bmcl.2016.03.005 NON-PROTEIN TARGET 1
26965865 10.1016/j.bmcl.2016.03.005 Sindbis virus 1
26965865 10.1016/j.bmcl.2016.03.005 Influenza B virus 1
26965865 10.1016/j.bmcl.2016.03.005 Human respirovirus 3 1
26965865 10.1016/j.bmcl.2016.03.005 Coxsackievirus B4 1
26965865 10.1016/j.bmcl.2016.03.005 Vesicular stomatitis virus 1
26965865 10.1016/j.bmcl.2016.03.005 Respiratory syncytial virus 1
26965865 10.1016/j.bmcl.2016.03.005 Human adenovirus 2 1

Data from ChEMBL 36 via Core Engine