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Compound Detail

CHEMBL5418610

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CSC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5418610
Phase Preclinical
Structure Type MOL
InChI Key UTNDASWWRDVXMI-SCFUHWHPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

455.5
MW (Da)
2.44
ALogP
9
HBA
3
HBD
105.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20F3N5O3S
MW 455.46
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
36455356 10.1016/j.ejmech.2022.114942 Enterovirus A71 1
36455356 10.1016/j.ejmech.2022.114942 RD 1
36455356 10.1016/j.ejmech.2022.114942 ADMET 1
36455356 10.1016/j.ejmech.2022.114942 SARS-CoV-2 1
36455356 10.1016/j.ejmech.2022.114942 Zika virus 1
36455356 10.1016/j.ejmech.2022.114942 Vero C1008 1

Data from ChEMBL 36 via Core Engine