Compound Detail
CHEMBL4871578
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Cc1cc(-c2nc3c(Cl)cc(OCCNS(=O)(=O)c4ccc(Cl)cc4)cc3s2)c2ncn(C)c(=O)c2c1
Basic Information
| ChEMBL ID | CHEMBL4871578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXVXDHPBYRWWNU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
575.5
MW (Da)
5.18
ALogP
8
HBA
1
HBD
103.2
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteinase-activated receptor 4 CHEMBL4879420 | IC50 | 5.98 | 5.98 | 1040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 4 | IC50 | = | 1040.0 | nM | 5.98 | Antagonist activity at PAR4 in ICR mouse platelet-rich plasma assessed as inhibi... | 34391031 |
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