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Compound Detail

CHEMBL4857938

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COCc1cnc2c(-c3nc4c(Cl)cc(OC)cc4s3)cc(C)cc2n1

Basic Information

ChEMBL ID CHEMBL4857938
Phase Preclinical
Structure Type MOL
InChI Key SQJNNIBBPHSQKJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.9
MW (Da)
5.02
ALogP
6
HBA
0
HBD
57.1
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16ClN3O2S
MW 385.88
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.30

Activity Summary

IC50 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteinase-activated receptor 4
CHEMBL4879420
IC50 6.1 6.1 790.0 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 1

Data from ChEMBL 36 via Core Engine