Compound Detail
CHEMBL5995812
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Basic Information
| ChEMBL ID | CHEMBL5995812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNVLWLLEQBBBMM-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
151.2
MW (Da)
-0.01
ALogP
3
HBA
2
HBD
68.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Ki 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| P2X purinoceptor 7 CHEMBL4805 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| P2X purinoceptor 7 CHEMBL5183 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| P2X purinoceptor 7 CHEMBL5183 | IC50 | 6.99 | 6.99 | 103.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 1.0 | nM | 9.0 | P2X7 FLIPR Assay: 1321N1 cells expressing the recombinant human or rat P2X7 chan... | - |
| P2X purinoceptor 7 | Ki | = | 1.4 | nM | 8.85 | P2X7 Radioligand Binding: human or rat P2X7-1321N1 cells were collected and froz... | - |
| P2X purinoceptor 7 | Ki | = | 1.4 | nM | 8.85 | P2X7 Radioligand Binding: human or rat P2X7-1321N1 cells were collected and froz... | - |
| P2X purinoceptor 7 | IC50 | = | 103.0 | nM | 6.99 | P2X7 FLIPR Assay: 1321N1 cells expressing the recombinant human or rat P2X7 chan... | - |
Data from ChEMBL 36 via Core Engine