Compound Detail
CHEMBL3718657
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Basic Information
| ChEMBL ID | CHEMBL3718657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NREGDMIGOWLBKQ-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
482.5
MW (Da)
5.28
ALogP
10
HBA
0
HBD
83.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 9.38
IC50 2 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteinase-activated receptor 4 CHEMBL4691 | EC50 | 9.38 | 8.966 | 0.4 | 5 |
| Prothrombin CHEMBL204 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
| Proteinase-activated receptor 4 CHEMBL4691 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 4 | EC50 | = | 0.42 | nM | 9.38 | Antagonist activity against human PAR4 expressed in HEK293 cells assessed as red... | - |
| Proteinase-activated receptor 4 | EC50 | = | 0.42 | nM | 9.38 | FLIPR Assay: Briefly, HEK293 EBNA PAR4 clone 20664.1J cells were plated 24 hrs. ... | - |
| Proteinase-activated receptor 4 | EC50 | = | 0.42 | nM | 9.38 | PAR4 FLIPR assay: The activity of the PAR4 antagonists of the present invention ... | - |
| Proteinase-activated receptor 4 | EC50 | = | 0.42 | nM | 9.38 | FLIPR Assay: The activity of the PAR4 antagonists of the present invention were ... | - |
| Proteinase-activated receptor 4 | EC50 | = | 49.0 | nM | 7.31 | PRP Assay: Briefly, PRP or washed platelet suspension (100 μl) was pre-incubated... | - |
| Proteinase-activated receptor 4 | IC50 | = | 49.0 | nM | 7.31 | Antagonist activity against PAR4 in human platelet rich plasma assessed as inhib... | - |
| Prothrombin | IC50 | = | 49.0 | nM | 7.31 | Platelet Aggregation (PRP) Assay : The ability of the compounds of the current i... | - |
Data from ChEMBL 36 via Core Engine