Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4525531

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C=CCSc1nnc(NC(=S)Nc2ccc(Br)cc2C(F)(F)F)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4525531
Phase Preclinical
Structure Type MOL
InChI Key URVZWLWCJDLRJI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

455.4
MW (Da)
5.41
ALogP
5
HBA
2
HBD
49.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10BrF3N4S3
MW 455.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.66

Activity Summary

IC50 1 meas. best 7.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zika virus
CHEMBL4296612
 IC50 7.33 7.33 46.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Zika virus IC50 = 46.6 nM 7.33 Antiviral activity against Zika virus infected in human A549 cells assessed as r... 31477351

Literature References

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

Data from ChEMBL 36 via Core Engine