Compound Detail
CHEMBL3728010
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Basic Information
| ChEMBL ID | CHEMBL3728010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAMARXZSROCBOX-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
3.51
ALogP
5
HBA
0
HBD
43.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteinase-activated receptor 4 CHEMBL4691 | IC50 | 7.73 | 7.63 | 18.6 | 3 |
| Proteinase-activated receptor 4 CHEMBL4879420 | IC50 | 5.74 | 5.74 | 1820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 4 | IC50 | = | 18.56 | nM | 7.73 | Antagonist activity against human PAR4 expressed in HEK293 cells assessed as red... | - |
| Proteinase-activated receptor 4 | IC50 | = | 18.6 | nM | 7.73 | FLIPR Assay: The FLIPR assay is an exemplary in vitro assay for measuring the ac... | - |
| Proteinase-activated receptor 4 | IC50 | = | 37.0 | nM | 7.43 | Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed... | 31246024 |
| Proteinase-activated receptor 4 | IC50 | = | 1820.0 | nM | 5.74 | Antagonist activity at PAR4 in ICR mouse platelet-rich plasma assessed as inhibi... | 34391031 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31246024 | 10.1021/acs.jmedchem.9b00186 | ADMET | 2 |
| 31246024 | 10.1021/acs.jmedchem.9b00186 | Proteinase-activated receptor 4 | 2 |
| 34391031 | 10.1016/j.ejmech.2021.113764 | Proteinase-activated receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine