Compound Detail
CHEMBL153254
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Basic Information
| ChEMBL ID | CHEMBL153254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFBIISIICFTESN-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.7
MW (Da)
0.49
ALogP
7
HBA
5
HBD
170.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
Ki 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL4315 | Ki | 7.12 | 7.12 | 76.0 | 1 |
| P2Y purinoceptor 1 CHEMBL4315 | IC50 | 6.21 | 6.21 | 616.6 | 2 |
| Rattus norvegicus CHEMBL376 | Ki | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | Ki | = | 76.0 | nM | 7.12 | Displacement of [3H]MRS-2270 from human P2Y1 receptor expressed in Sf9 cells | 17564423 |
| P2Y purinoceptor 1 | IC50 | = | 620.0 | nM | 6.21 | Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as... | 17564423 |
| P2Y purinoceptor 1 | IC50 | = | 616.6 | nM | 6.21 | Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as... | 17564423 |
| Rattus norvegicus | Ki | = | 680.0 | nM | 6.17 | Inhibition of ADP-induced activation of rat platelets using aggregometry | 12477353 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17564423 | 10.1021/jm0700971 | P2Y purinoceptor 1 | 3 |
| 12477353 | 10.1021/jm020173u | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine