Compound Detail
CHEMBL2376118
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Basic Information
| ChEMBL ID | CHEMBL2376118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWCDFHGYLDKCRS-FMQUCBEESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
357.3
MW (Da)
3.04
ALogP
7
HBA
3
HBD
149.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 7.1 | 7.1 | 79.8 | 1 |
| P2X purinoceptor 1 CHEMBL5496 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 3 | IC50 | = | 79.8 | nM | 7.1 | Antagonist activity at human recombinant P2X3 receptor expressed in Xenopus oocy... | 23510563 |
| P2X purinoceptor 1 | IC50 | = | 130.0 | nM | 6.89 | Antagonist activity at mouse recombinant P2X1 receptor expressed in Xenopus oocy... | 23510563 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23510563 | 10.1016/j.bmc.2013.01.073 | P2X purinoceptor 3 | 2 |
| 23510563 | 10.1016/j.bmc.2013.01.073 | P2X purinoceptor 1 | 2 |
| 23510563 | 10.1016/j.bmc.2013.01.073 | P2X purinoceptor 7 | 1 |
| 23510563 | 10.1016/j.bmc.2013.01.073 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine