Compound Detail
CHEMBL3718382
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Basic Information
| ChEMBL ID | CHEMBL3718382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPXQVZHMDFVOFI-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
6.03
ALogP
11
HBA
0
HBD
87.6
PSA (Ų)
0.24
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.81
EC50 1 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 6.81 | 6.81 | 156.0 | 1 |
| Proteinase-activated receptor 4 CHEMBL4691 | EC50 | 6.81 | 6.81 | 156.0 | 1 |
| Proteinase-activated receptor 4 CHEMBL4691 | IC50 | 6.81 | 6.81 | 156.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 4 | EC50 | = | 156.0 | nM | 6.81 | PRP Assay: Briefly, PRP or washed platelet suspension (100 μl) was pre-incubated... | - |
| Proteinase-activated receptor 4 | IC50 | = | 156.0 | nM | 6.81 | Antagonist activity against PAR4 in human platelet rich plasma assessed as inhib... | - |
| Prothrombin | IC50 | = | 156.0 | nM | 6.81 | Platelet Aggregation (PRP) Assay : The ability of the compounds of the current i... | - |
Data from ChEMBL 36 via Core Engine