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Compound Detail

CHEMBL3787291

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C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3787291
Phase Preclinical
Structure Type MOL
InChI Key XFTVZANYPVVBQK-SADCGLOJSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names

Molecular Properties

393.8
MW (Da)
0.45
ALogP
9
HBA
4
HBD
125.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20ClN5O4
MW 393.83
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.35

Activity Summary

IC50 3 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 Influenza A virus 2
26965865 10.1016/j.bmcl.2016.03.005 Human immunodeficiency virus 1 2
26965865 10.1016/j.bmcl.2016.03.005 Adenosine receptor A3 1
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