Compound Detail
CHEMBL564463
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 | CHEMBL564463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXSOVBSJSRYNER-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
4.23
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | Kd | 7.4 | 7.4 | 39.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 47.0 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | Kd | = | 39.81 | nM | 7.4 | Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition ... | 19191585 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19191585 | 10.1021/jm801528x | Rattus norvegicus | 3 |
| 19191585 | 10.1021/jm801528x | P2X purinoceptor 7 | 1 |
| 19191585 | 10.1021/jm801528x | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine