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Compound Detail

CHEMBL4847592

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COc1cc(Cl)c2nc(-c3cc(C)cc4c3CCN(C)C4=O)sc2c1

Basic Information

ChEMBL ID CHEMBL4847592
Phase Preclinical
Structure Type MOL
InChI Key NOTHFZDPJVJZMD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.9
MW (Da)
4.56
ALogP
4
HBA
0
HBD
42.4
PSA (Ų)
0.66
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 C19H17ClN2O2S
MW 372.88
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 5.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteinase-activated receptor 4
CHEMBL4879420
IC50 5.74 5.74 1840.0 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