Compound Detail
CHEMBL256141
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Basic Information
| ChEMBL ID | CHEMBL256141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLECKXIIVSFDQR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
501.0
MW (Da)
8.32
ALogP
4
HBA
2
HBD
68.2
PSA (Ų)
0.28
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL4315 | Ki | 7.52 | 7.52 | 30.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | Ki | = | 30.0 | nM | 7.52 | Binding affinity to human P2Y1 receptor | 18445527 |
| P2Y purinoceptor 1 | Ki | = | 30.0 | nM | 7.52 | Inhibition of human P2Y1 assessed as inhibition constant | 27413802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18445527 | 10.1016/j.bmcl.2008.04.028 | P2Y purinoceptor 1 | 1 |
| 27413802 | 10.1021/acs.jmedchem.5b01972 | P2Y purinoceptor 1 | 1 |
Data from ChEMBL 36 via Core Engine