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Compound Detail

CHEMBL4085744

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COc1ccc(OC)c(S(=O)(=O)NCCCN2CCN(CCCNS(=O)(=O)c3cc(OC)ccc3OC)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4085744
Phase Preclinical
Structure Type MOL
InChI Key WHQYCMXGDDVZEB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

600.8
MW (Da)
1.38
ALogP
10
HBA
2
HBD
135.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H40N4O8S2
MW 600.76
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -0.91

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