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Compound Detail

CHEMBL4464693

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C#CCSc1nsc(NC(=S)Nc2ccc(Br)cc2C(F)(F)F)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4464693
Phase Preclinical
Structure Type MOL
InChI Key UFWCGMCAVNJIIT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.3
MW (Da)
4.85
ALogP
5
HBA
2
HBD
49.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8BrF3N4S3
MW 453.33
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.60

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
31477351 10.1016/j.bmcl.2019.126626 Zika virus 1

Data from ChEMBL 36 via Core Engine