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Compound Detail

CHEMBL5187687

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CSc1nc(SC)c2[nH]nc([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5187687
Phase Preclinical
Structure Type MOL
InChI Key DOPAHDYKAYTFCY-LFAOKBQASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
-0.05
ALogP
9
HBA
4
HBD
124.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N4O4S2
MW 344.42
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.10

Literature References

PubMed DOI Target Context # Activities
35092894 10.1016/j.bmc.2022.116613 Influenza A virus 1
35092894 10.1016/j.bmc.2022.116613 MDCK 1

Data from ChEMBL 36 via Core Engine