Compound Detail
CHEMBL5596778
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Basic Information
| ChEMBL ID | CHEMBL5596778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNXSYRDJJUUKKB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
421.4
MW (Da)
5.91
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 2 CHEMBL4398 | Ki | 4.49 | 4.49 | 32359.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 2 | Ki | = | 32359.37 | nM | 4.49 | Displacement of 2-((5-(7-chloro-2-((3-((2-(5-(3-(5,5-difluoro-7,9-dimethyl-5H-4l... | 39015271 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39015271 | 10.1021/acsmedchemlett.4c00211 | P2Y purinoceptor 2 | 2 |
Data from ChEMBL 36 via Core Engine