Compound Detail
CHEMBL227235
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Basic Information
| ChEMBL ID | CHEMBL227235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHMVWKJOLWGSGQ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
491.1
MW (Da)
0.44
ALogP
7
HBA
5
HBD
170.7
PSA (Ų)
0.21
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Ki 1 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL4315 | Ki | 7.18 | 7.18 | 66.0 | 1 |
| P2Y purinoceptor 1 CHEMBL4315 | IC50 | 6.1 | 6.1 | 790.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | Ki | = | 66.0 | nM | 7.18 | Displacement of [3H]MRS-2270 from human P2Y1 receptor expressed in Sf9 cells | 17564423 |
| P2Y purinoceptor 1 | IC50 | = | 790.0 | nM | 6.1 | Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as... | 17564423 |
| P2Y purinoceptor 1 | IC50 | = | 794.33 | nM | 6.1 | Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as... | 17564423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17564423 | 10.1021/jm0700971 | P2Y purinoceptor 1 | 3 |
Data from ChEMBL 36 via Core Engine