Compound Detail
CHEMBL4547802
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Basic Information
| ChEMBL ID | CHEMBL4547802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YESOMKWNPIOVSW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
3.39
ALogP
8
HBA
0
HBD
79.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 3 | IC50 | = | 48.0 | nM | 7.32 | Antagonist activity at human recombinant P2X3 receptor expressed in HEK293-Tet-o... | 27423478 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27423478 | 10.1016/j.bmcl.2016.07.009 | P2X purinoceptor 3 | 1 |
Data from ChEMBL 36 via Core Engine