Compound Detail
CHEMBL2393201
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Basic Information
| ChEMBL ID | CHEMBL2393201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROIKEXLVELZTIZ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
470.5
MW (Da)
7.45
ALogP
6
HBA
1
HBD
59.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.12
Ki 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL4315 | Ki | 8.15 | 8.15 | 7.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.12 | 5.12 | 7500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | Ki | = | 7.0 | nM | 8.15 | Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293... | 23668989 |
| P2Y purinoceptor 1 | Ki | = | 7.0 | nM | 8.15 | Displacement of [33P]2-MeS-ADP from human cloned P2Y1 receptor expressed in HEK2... | 24767843 |
| NON-PROTEIN TARGET | IC50 | = | 7500.0 | nM | 5.12 | Antiplatelet activity in human platelet-rich plasma assessed as inhibition of AD... | 23668989 |
| NON-PROTEIN TARGET | IC50 | = | 7500.0 | nM | 5.12 | Antiplatelet activity in human platelet-rich plasma assessed as inhibition of AD... | 24767843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23668989 | 10.1016/j.bmcl.2013.04.041 | No relevant target | 2 |
| 23668989 | 10.1016/j.bmcl.2013.04.041 | NON-PROTEIN TARGET | 1 |
| 23668989 | 10.1016/j.bmcl.2013.04.041 | P2Y purinoceptor 1 | 1 |
| 24767843 | 10.1016/j.bmcl.2014.04.011 | P2Y purinoceptor 1 | 1 |
| 24767843 | 10.1016/j.bmcl.2014.04.011 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine