Compound Detail
CHEMBL3091621
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Basic Information
| ChEMBL ID | CHEMBL3091621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDAIMRKZCYXGTE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.3
MW (Da)
3.95
ALogP
5
HBA
3
HBD
117.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 3 | IC50 | = | 3300.0 | nM | 5.48 | Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocy... | 24246730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24246730 | 10.1016/j.ejmech.2013.10.026 | P2X purinoceptor 7 | 1 |
| 24246730 | 10.1016/j.ejmech.2013.10.026 | P2X purinoceptor 3 | 1 |
| 24246730 | 10.1016/j.ejmech.2013.10.026 | P2X purinoceptor 1 | 1 |
Data from ChEMBL 36 via Core Engine