Compound Detail
CHEMBL4128059
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Basic Information
| ChEMBL ID | CHEMBL4128059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSHXPELIHNYJBY-QGZVFWFLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
461.0
MW (Da)
4.67
ALogP
7
HBA
2
HBD
71.9
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 2 CHEMBL4398 | Ki | 5.28 | 5.16 | 5248.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 2 | Ki | = | 5248.07 | nM | 5.28 | Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5... | 29558126 |
| P2Y purinoceptor 2 | Ki | = | 9120.11 | nM | 5.04 | Displacement of (E)-N6-(5-(bis(4-chlorophenyl)methyl)thiazol-2-yl)-N2-(6-(2-(4-(... | 39015271 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29558126 | 10.1021/acs.jmedchem.8b00139 | P2Y purinoceptor 2 | 4 |
| 39015271 | 10.1021/acsmedchemlett.4c00211 | P2Y purinoceptor 2 | 1 |
Data from ChEMBL 36 via Core Engine