Compound Detail
CHEMBL3103635
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Basic Information
| ChEMBL ID | CHEMBL3103635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVIUSCYDZGOMCR-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
6.80
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.98
Ki 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL4315 | Ki | 8.12 | 8.12 | 7.6 | 1 |
| P2Y purinoceptor 1 CHEMBL4315 | IC50 | 7.98 | 6.685 | 10.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | Ki | = | 7.6 | nM | 8.12 | Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cell... | 24164581 |
| P2Y purinoceptor 1 | IC50 | = | 10.5 | nM | 7.98 | Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM ... | 24164581 |
| P2Y purinoceptor 1 | IC50 | = | 4100.0 | nM | 5.39 | Antagonist activity at P2Y1 receptor in platelet-enriched human plasma assessed ... | 24164581 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24164581 | 10.1021/jm4013906 | P2Y purinoceptor 1 | 3 |
Data from ChEMBL 36 via Core Engine