Compound Detail
CHEMBL3091610
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Basic Information
| ChEMBL ID | CHEMBL3091610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJIHHWLYLHVKCJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
345.3
MW (Da)
1.98
ALogP
5
HBA
4
HBD
145.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 1 CHEMBL5496 | IC50 | 6.57 | 6.57 | 267.0 | 1 |
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 6.34 | 6.34 | 458.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 1 | IC50 | = | 267.0 | nM | 6.57 | Antagonist activity at recombinant mouse P2X1 receptor expressed in Xenopus oocy... | 24246730 |
| P2X purinoceptor 3 | IC50 | = | 458.0 | nM | 6.34 | 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