Compound Detail
CHEMBL3929261
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 | CHEMBL3929261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVDHNLVRCBJYAL-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
408.3
MW (Da)
3.76
ALogP
4
HBA
0
HBD
51.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 5.55 | 5.5167 | 2831.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 2831.4 | nM | 5.55 | FLIPR Assay: 1321 N1 cells expressing the recombinant human, rat or mouse P2X7 c... | - |
| P2X purinoceptor 7 | IC50 | = | 2831.0 | nM | 5.55 | Ca2+ flux assay: 1321N1 cells expressing the recombinant human or rat P2X7 chann... | - |
| P2X purinoceptor 7 | IC50 | = | 2831.0 | nM | 5.55 | FLIPR Ca2+ Flux Assay: 1321N1 cells expressing the recombinant human, rat or mou... | - |
| P2X purinoceptor 7 | IC50 | = | 2831.0 | nM | 5.55 | Radioligand Binding: Human or rat P2X7-1321 N1 cells were collected and frozen @... | - |
| P2X purinoceptor 7 | IC50 | = | 3538.0 | nM | 5.45 | Antagonist activity at recombinant human P2X7 receptor expressed in human 1321N1... | 27548392 |
| P2X purinoceptor 7 | IC50 | = | 3538.0 | nM | 5.45 | Ca2+ flux assay: 1321N1 cells expressing the recombinant human or rat P2X7 chann... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27548392 | 10.1021/acs.jmedchem.6b00989 | P2X purinoceptor 7 | 3 |
Data from ChEMBL 36 via Core Engine