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Compound Detail

CHEMBL4088149

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O=S(=O)(NCCCN1CCN(CCCNS(=O)(=O)c2cccnc2)CC1)c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4088149
Phase Preclinical
Structure Type MOL
InChI Key TYXDACNIYXOLPH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

482.6
MW (Da)
0.13
ALogP
8
HBA
2
HBD
124.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30N6O4S2
MW 482.63
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.24

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