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Compound Detail

CHEMBL382589

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O=c1cnn(COCCO)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL382589
Phase Preclinical
Structure Type MOL
InChI Key IIOXHGRSPAXNEU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

187.2
MW (Da)
-2.10
ALogP
6
HBA
2
HBD
97.2
PSA (Ų)
0.53
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 C6H9N3O4
MW 187.16
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
16539393 10.1021/jm058271d Hepatitis B virus 4
16539393 10.1021/jm058271d Duck hepatitis B virus 2
16539393 10.1021/jm058271d HepG2 1
16539393 10.1021/jm058271d Vero 1

Data from ChEMBL 36 via Core Engine