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Compound Detail

CHEMBL1089502

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Nc1ccn([C@H]2C[C@@H](CO)[C@H](O)[C@@H]2O)c(=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1089502
Phase Preclinical
Structure Type MOL
InChI Key UAZJPMMKWBPACD-UXXCCHNYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

241.2
MW (Da)
-1.90
ALogP
7
HBA
4
HBD
121.6
PSA (Ų)
0.48
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 C10H15N3O4
MW 241.25
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 1.43

Literature References

PubMed DOI Target Context # Activities
20231094 10.1016/j.bmcl.2010.02.074 ADMET 24
20231094 10.1016/j.bmcl.2010.02.074 H5N1 subtype 9
20231094 10.1016/j.bmcl.2010.02.074 Influenza A virus 9
20231094 10.1016/j.bmcl.2010.02.074 Influenza A virus (A/Puerto Rico/8/1934(H1N1)) 3
20231094 10.1016/j.bmcl.2010.02.074 Influenza B virus 3
20231094 10.1016/j.bmcl.2010.02.074 MDCK 1

Data from ChEMBL 36 via Core Engine