Compound Detail
CHEMBL458264
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
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(-c2cc(F)cc(F)c2)cn1
Basic Information
| ChEMBL ID | CHEMBL458264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCPIEAZVUZECSD-NRQGFZABSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
5.77
ALogP
5
HBA
1
HBD
77.5
PSA (Ų)
0.52
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteinase-activated receptor 1 CHEMBL3974 | Ki | 8.23 | 8.23 | 5.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 1 | Ki | = | 5.9 | nM | 8.23 | Displacement of [3H]haTRAP from PAR1 in human platelets | 18447380 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18447380 | 10.1021/jm800180e | Proteinase-activated receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine