Compound Detail
CHEMBL4860533
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Basic Information
| ChEMBL ID | CHEMBL4860533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBPDHFGQIXJXCU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
6
PK Parameters
6
Publications
0
Known Names
Molecular Properties
371.9
MW (Da)
4.18
ALogP
6
HBA
0
HBD
57.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteinase-activated receptor 4 CHEMBL4691 | IC50 | 9.28 | 8.495 | 0.5 | 2 |
| Proteinase-activated receptor 4 CHEMBL4879420 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 36.6 | mL.min-1.g-1 | Homo sapiens |
| CL | 78.1 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 19.3 | mL.min-1.g-1 | Mus musculus |
| T1/2 | 0.71 | hr | Homo sapiens |
| T1/2 | 0.5317 | hr | Rattus norvegicus |
| T1/2 | 4.7 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 4 | IC50 | = | 0.53 | nM | 9.28 | Antagonist activity at human PAR4 expressed in Ga15-HEK293 cells assessed as red... | 34391031 |
| Proteinase-activated receptor 4 | IC50 | = | 19.6 | nM | 7.71 | Antagonist activity at PAR4 in human platelet-rich plasma assessed as inhibition... | 34391031 |
| Proteinase-activated receptor 4 | IC50 | = | 84.0 | nM | 7.08 | 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 | ADMET | 6 |
| 34391031 | 10.1016/j.ejmech.2021.113764 | Platelet | 5 |
| 34391031 | 10.1016/j.ejmech.2021.113764 | Proteinase-activated receptor 4 | 3 |
| 34391031 | 10.1016/j.ejmech.2021.113764 | HEK-293T | 3 |
| 34391031 | 10.1016/j.ejmech.2021.113764 | Proteinase-activated receptor 1 | 1 |
| 34391031 | 10.1016/j.ejmech.2021.113764 | Proteinase-activated receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine