Compound Detail
CHEMBL3716160
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Basic Information
| ChEMBL ID | CHEMBL3716160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSEKDKRYSPCTMU-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
6.06
ALogP
10
HBA
0
HBD
83.9
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.49
IC50 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteinase-activated receptor 4 CHEMBL4691 | EC50 | 9.49 | 9.17 | 0.3 | 3 |
| Proteinase-activated receptor 4 CHEMBL4691 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 4 | EC50 | = | 0.32 | nM | 9.49 | Antagonist activity against human PAR4 expressed in HEK293 cells assessed as red... | - |
| Proteinase-activated receptor 4 | EC50 | = | 0.98 | nM | 9.01 | FLIPR Assay: Briefly, HEK293 EBNA PAR4 clone 20664.1J cells were plated 24 hrs. ... | - |
| Proteinase-activated receptor 4 | EC50 | = | 0.98 | nM | 9.01 | PAR4 FLIPR assay: The activity of the PAR4 antagonists of the present invention ... | - |
| Proteinase-activated receptor 4 | IC50 | = | 1.9 | nM | 8.72 | Antagonist activity against PAR4 in human platelet rich plasma assessed as inhib... | - |
Data from ChEMBL 36 via Core Engine