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Compound Detail

CHEMBL4094776

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CC(C)n1nnc2c(C(=O)Nc3ccc(F)cc3)cc(-c3cccs3)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4094776
Phase Preclinical
Structure Type MOL
InChI Key NUMCRSQHZQQXDD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
4.53
ALogP
6
HBA
1
HBD
72.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16FN5OS
MW 381.44
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -2.58

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