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Compound Detail

CHEMBL4876067

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COc1ccccc1-c1cc(C)cc2c(=O)n(C)cnc12

Basic Information

ChEMBL ID CHEMBL4876067
Phase Preclinical
Structure Type MOL
InChI Key PPWKCZLIHJETKB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
2.92
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.72
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 C17H16N2O2
MW 280.33
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.50

Activity Summary

IC50 1 meas. best 5.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteinase-activated receptor 4
CHEMBL4879420
IC50 5.13 5.13 7320.0 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