Compound Detail
CHEMBL4127983
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Basic Information
| ChEMBL ID | CHEMBL4127983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSDCAYQXHJYAEL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
387.9
MW (Da)
4.53
ALogP
5
HBA
1
HBD
50.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 2 CHEMBL4398 | Ki | 5.81 | 5.81 | 1548.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 2 | Ki | = | 1548.82 | nM | 5.81 | Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5... | 29558126 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29558126 | 10.1021/acs.jmedchem.8b00139 | P2Y purinoceptor 2 | 3 |
Data from ChEMBL 36 via Core Engine