Compound Detail
CHEMBL3663267
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3663267 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAGJWLIAMKCIPZ-VIFPVBQESA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
501.7
MW (Da)
4.21
ALogP
6
HBA
0
HBD
76.8
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.1
IC50 3 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | Ki | 8.1 | 8.1 | 7.9 | 3 |
| P2X purinoceptor 7 CHEMBL5183 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 7.76 | 7.76 | 17.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | Ki | = | 7.9 | nM | 8.1 | Radioligand Binding Assay: Radioligand binding: human or rat P2X7-1321N1 cells w... | - |
| P2X purinoceptor 7 | Ki | = | 7.9 | nM | 8.1 | Radioligand binding assay: human or rat P2X7-1321N1 cells were collected and fro... | - |
| P2X purinoceptor 7 | Ki | = | 7.9 | nM | 8.1 | P2X7 Radioligand Binding: human or rat P2X7-1321N1 cells were collected and froz... | - |
| P2X purinoceptor 7 | Ki | = | 7.9 | nM | 8.1 | P2X7 Radioligand Binding: human or rat P2X7-1321N1 cells were collected and froz... | - |
| P2X purinoceptor 7 | IC50 | = | 17.5 | nM | 7.76 | FLIPR Assay: Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mo... | - |
| P2X purinoceptor 7 | IC50 | = | 17.5 | nM | 7.76 | Ca2+ flux assay: 1321N1 cells expressing the recombinant human, rat or mouse P2X... | - |
| P2X purinoceptor 7 | IC50 | = | 17.5 | nM | 7.76 | P2X7 FLIPR Assay: 1321N1 cells expressing the recombinant human or rat P2X7 chan... | - |
Data from ChEMBL 36 via Core Engine