Compound Detail
CHEMBL5181634
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Basic Information
| ChEMBL ID | CHEMBL5181634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLYYVFXMGAFHAI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
430.4
MW (Da)
3.62
ALogP
8
HBA
0
HBD
69.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 12 CHEMBL2001 | Ki | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 12 | Ki | = | 0.3 | nM | 9.52 | Displacement of [3H]-2MesADP from human P2Y12 in HEK cell membrane assessed as i... | 35640763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35640763 | 10.1016/j.bmcl.2022.128837 | P2Y purinoceptor 12 | 1 |
Data from ChEMBL 36 via Core Engine