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Compound Detail

CHEMBL1085180

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CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(I)ccc3N2)c(O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1085180
Phase Preclinical
Structure Type MOL
InChI Key MNFFKCPPTICIML-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

537.4
MW (Da)
3.92
ALogP
6
HBA
2
HBD
100.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20IN3O4S
MW 537.38
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
19515564 10.1016/j.bmcl.2009.05.091 Hepatitis C virus 3

Data from ChEMBL 36 via Core Engine