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Compound Detail

CHEMBL4870833

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COc1cc(F)c2nc(-c3cccc4c(=O)n(C)cnc34)sc2c1

Basic Information

ChEMBL ID CHEMBL4870833
Phase Preclinical
Structure Type MOL
InChI Key FKQACTGJKNDFTK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
3.36
ALogP
6
HBA
0
HBD
57.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12FN3O2S
MW 341.37
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.41

Activity Summary

IC50 1 meas. best 5.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteinase-activated receptor 4
CHEMBL4879420
IC50 5.27 5.27 5340.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34391031 10.1016/j.ejmech.2021.113764 Proteinase-activated receptor 4 2

Data from ChEMBL 36 via Core Engine