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Compound Detail

CHEMBL4090115

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O=S(=O)(NCCCN1CCN(CCCNS(=O)(=O)c2cccc3ccccc23)CC1)c1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4090115
Phase Preclinical
Structure Type MOL
InChI Key GKGCNKYPSXYSAA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

580.8
MW (Da)
3.65
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.25
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H36N4O4S2
MW 580.78
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
27810598 10.1016/j.ejmech.2016.10.043 Hepatitis C virus 2
27810598 10.1016/j.ejmech.2016.10.043 Huh-5-2 1
27810598 10.1016/j.ejmech.2016.10.043 Unchecked 1

Data from ChEMBL 36 via Core Engine