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Compound Detail

CHEMBL425224

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CCc1cn(COCCO)c(=S)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL425224
Phase Preclinical
Structure Type MOL
InChI Key IRHZJZKULLMJFY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
0.43
ALogP
5
HBA
2
HBD
67.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H14N2O3S
MW 230.29
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
16539393 10.1021/jm058271d Hepatitis B virus 5
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