Compound Detail
CHEMBL507697
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CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(C)c2F)cn1
Basic Information
| ChEMBL ID | CHEMBL507697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGKYFVOUPXDQQA-HNSSBTIISA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
5.94
ALogP
5
HBA
1
HBD
77.5
PSA (Ų)
0.51
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteinase-activated receptor 1 CHEMBL3974 | Ki | 7.96 | 7.96 | 11.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 65.86 | ng.hr.mL-1 | Macaca fascicularis |
| Cmax | 20.0 | nM | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 1 | Ki | = | 11.0 | nM | 7.96 | Displacement of [3H]haTRAP from PAR1 in human platelets | 18447380 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18447380 | 10.1021/jm800180e | Cynomolgus monkey | 2 |
| 18447380 | 10.1021/jm800180e | Proteinase-activated receptor 1 | 1 |
| 18447380 | 10.1021/jm800180e | Platelet | 1 |
Data from ChEMBL 36 via Core Engine