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Compound Detail

CHEMBL3753489

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Nc1nccc2c1ncn2C1=C[C@@H](CO)[C@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL3753489
Phase Preclinical
Structure Type MOL
InChI Key PCJCKCSFBICBNZ-NRZXQICZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
-0.80
ALogP
7
HBA
4
HBD
117.4
PSA (Ų)
0.56
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 C12H14N4O3
MW 262.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.72

Literature References

PubMed DOI Target Context # Activities
26750250 10.1016/j.bmcl.2015.12.061 Ebolavirus 2
26750250 10.1016/j.bmcl.2015.12.061 HepG2 1
26750250 10.1016/j.bmcl.2015.12.061 Unchecked 1
26750250 10.1016/j.bmcl.2015.12.061 Human betaherpesvirus 5 1
26750250 10.1016/j.bmcl.2015.12.061 Measles morbillivirus 1
26750250 10.1016/j.bmcl.2015.12.061 S-adenosylhomocysteine hydrolase-like protein 1 1
26750250 10.1016/j.bmcl.2015.12.061 Enterovirus C 1
26750250 10.1016/j.bmcl.2015.12.061 Punta Toro virus 1
26750250 10.1016/j.bmcl.2015.12.061 Venezuelan equine encephalitis virus 1
26750250 10.1016/j.bmcl.2015.12.061 Vaccinia virus 1
26750250 10.1016/j.bmcl.2015.12.061 West Nile virus 1
26750250 10.1016/j.bmcl.2015.12.061 NON-PROTEIN TARGET 1
26750250 10.1016/j.bmcl.2015.12.061 Monkeypox virus 1

Data from ChEMBL 36 via Core Engine