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Compound Detail

CHEMBL4094565

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O=C(O)c1ccc(S(=O)(=O)NCCCN2CCN(CCCNS(=O)(=O)c3ccc(C(=O)O)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4094565
Phase Preclinical
Structure Type MOL
InChI Key KUMZKJWHUFOFMC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

568.7
MW (Da)
0.74
ALogP
8
HBA
4
HBD
173.4
PSA (Ų)
0.24
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32N4O8S2
MW 568.67
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
27810598 10.1016/j.ejmech.2016.10.043 Hepatitis C virus 1
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