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Compound Detail

CHEMBL4098925

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O=S(=O)(NCCN1CCN(CCNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4098925
Phase Preclinical
Structure Type MOL
InChI Key BMNWNBCMAJDHMD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

521.5
MW (Da)
1.87
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.50
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26Cl2N4O4S2
MW 521.49
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.15

Activity Summary

IC50 1 meas.

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