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Compound Detail

CHEMBL4067145

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O=C(CCNS(=O)(=O)c1ccccc1)N1CCN(CCCNS(=O)(=O)c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4067145
Phase Preclinical
Structure Type MOL
InChI Key QMHRIFBOXRGWFQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
0.87
ALogP
6
HBA
2
HBD
115.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N4O5S2
MW 494.64
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.41

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