Compound Detail
CHEMBL3103385
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Basic Information
| ChEMBL ID | CHEMBL3103385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZYRUGGUQGFZDF-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
5.55
ALogP
1
HBA
0
HBD
23.6
PSA (Ų)
0.71
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 4 CHEMBL2104 | IC50 | 5.46 | 5.46 | 3440.0 | 1 |
| P2X purinoceptor 1 CHEMBL2094 | IC50 | 5.27 | 5.27 | 5320.0 | 1 |
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 5.14 | 5.14 | 7180.0 | 1 |
| P2X purinoceptor 4 CHEMBL2176849 | IC50 | 4.83 | 4.83 | 14900.0 | 1 |
| P2X purinoceptor 4 CHEMBL2818 | IC50 | 4.26 | 4.26 | 54600.0 | 1 |
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 4.02 | 4.02 | 95200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 4 | IC50 | = | 3440.0 | nM | 5.46 | Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells asses... | 24411477 |
| P2X purinoceptor 1 | IC50 | = | 5320.0 | nM | 5.27 | Antagonist activity at human P2X1 receptor expressed in human 1321N1 cells asses... | 24411477 |
| P2X purinoceptor 3 | IC50 | = | 7180.0 | nM | 5.14 | Antagonist activity at human P2X3 receptor expressed in human 1321N1 cells asses... | 24411477 |
| P2X purinoceptor 4 | IC50 | = | 14900.0 | nM | 4.83 | Antagonist activity at mouse P2X4 receptor assessed as inhibition of ATP-induced... | 24411477 |
| P2X purinoceptor 4 | IC50 | = | 54600.0 | nM | 4.26 | Antagonist activity at rat P2X4 receptor assessed as inhibition of ATP-induced c... | 24411477 |
| P2X purinoceptor 7 | IC50 | = | 95200.0 | nM | 4.02 | Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells asses... | 24411477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24411477 | 10.1016/j.bmc.2013.12.035 | P2X purinoceptor 4 | 5 |
| 24411477 | 10.1016/j.bmc.2013.12.035 | Unchecked | 2 |
| 24411477 | 10.1016/j.bmc.2013.12.035 | P2X purinoceptor 2 | 2 |
| 24411477 | 10.1016/j.bmc.2013.12.035 | P2X purinoceptor 7 | 1 |
| 24411477 | 10.1016/j.bmc.2013.12.035 | P2X purinoceptor 3 | 1 |
| 24411477 | 10.1016/j.bmc.2013.12.035 | P2X purinoceptor 1 | 1 |
Data from ChEMBL 36 via Core Engine