Compound Detail
CHEMBL255095
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Basic Information
| ChEMBL ID | CHEMBL255095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOVXRFVCALQWQM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
7.30
ALogP
4
HBA
2
HBD
68.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL4315 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Platelet CHEMBL4296519 | IC50 | 6.82 | 6.015 | 150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | Ki | = | 20.0 | nM | 7.7 | Binding affinity to human P2Y1 receptor | 18445527 |
| Platelet | IC50 | = | 150.0 | nM | 6.82 | Inhibition of ADP-induced P-selectin expression in human platelets | 18445527 |
| Platelet | IC50 | = | 6220.0 | nM | 5.21 | Inhibition of ADP-induced platelet aggregation in human platelets | 18445527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18445527 | 10.1016/j.bmcl.2008.04.028 | Platelet | 2 |
| 18445527 | 10.1016/j.bmcl.2008.04.028 | P2Y purinoceptor 1 | 1 |
Data from ChEMBL 36 via Core Engine