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Compound Detail

CHEMBL379062

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Cc1nn(COC(CO)CO)c(=S)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL379062
Phase Preclinical
Structure Type MOL
InChI Key HUPLYXUSUJSXLJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
-1.06
ALogP
7
HBA
3
HBD
100.4
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 C8H13N3O4S
MW 247.28
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.63

Literature References

PubMed DOI Target Context # Activities
16759112 10.1021/jm060102l Hepatitis B virus 3
16759112 10.1021/jm060102l Duck hepatitis B virus 2
16759112 10.1021/jm060102l HepG2 1
16759112 10.1021/jm060102l Vero 1

Data from ChEMBL 36 via Core Engine