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Compound Detail

CHEMBL3121577

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CCOC(=O)c1c(C[S+]([O-])c2ccc(F)cc2)n(C)c2cc(Br)c(O)c(CN3CCOCC3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3121577
Phase Preclinical
Structure Type MOL
InChI Key VURUCJGJGLZSIP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

553.5
MW (Da)
4.10
ALogP
7
HBA
1
HBD
87.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26BrFN2O5S
MW 553.45
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
24549242 10.1016/j.ejmech.2014.01.046 Hepatitis B virus 1

Data from ChEMBL 36 via Core Engine