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Compound Detail

CHEMBL4079012

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CC(C)n1ncc2c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc(-c3cccs3)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4079012
Phase Preclinical
Structure Type MOL
InChI Key LFCMZYHSOFBEQA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
3.64
ALogP
7
HBA
2
HBD
120.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N5O3S2
MW 441.54
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -2.61

Literature References

PubMed DOI Target Context # Activities
29346733 10.1021/acs.jmedchem.7b01863 Enterovirus A71 1
29346733 10.1021/acs.jmedchem.7b01863 Coxsackievirus B3 1
29346733 10.1021/acs.jmedchem.7b01863 Poliovirus 1 1
29346733 10.1021/acs.jmedchem.7b01863 Poliovirus 3 1

Data from ChEMBL 36 via Core Engine