Compound Detail
CHEMBL1778017
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Basic Information
| ChEMBL ID | CHEMBL1778017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMYRZDKDSIHDIU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
345.2
MW (Da)
3.45
ALogP
6
HBA
1
HBD
79.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 7.74 | 7.74 | 18.2 | 1 |
| P2X purinoceptor 7 CHEMBL2496 | IC50 | 6.99 | 6.99 | 102.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 18.2 | nM | 7.74 | Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells... | 21536435 |
| P2X purinoceptor 7 | IC50 | = | 102.33 | nM | 6.99 | Antagonist activity at rat recombinant P2X7 receptor expressed in HEK293 cells a... | 21536435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21536435 | 10.1016/j.bmcl.2011.04.024 | P2X purinoceptor 7 | 2 |
| 21536435 | 10.1016/j.bmcl.2011.04.024 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine