Compound Detail
CHEMBL340983
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 | CHEMBL340983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVGVYAMTXQUAFY-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
4
PK Parameters
9
Publications
0
Known Names
Molecular Properties
333.9
MW (Da)
4.29
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.59
Kd 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | Kd | 8.8 | 8.5 | 1.6 | 2 |
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 7.59 | 7.59 | 25.7 | 1 |
| P2X purinoceptor 7 CHEMBL5183 | IC50 | 5.72 | 5.72 | 1905.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 185.97 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 221.46 | ng.hr.mL-1 | Rattus norvegicus |
| T1/2 | 0.47 | hr | Rattus norvegicus |
| T1/2 | 0.16 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | Kd | = | 1.585 | nM | 8.8 | Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition ... | 19191585 |
| P2X purinoceptor 7 | Kd | = | 6.31 | nM | 8.2 | Antagonistic activity against the P2X7 ion channel | 14592505 |
| P2X purinoceptor 7 | IC50 | = | 25.7 | nM | 7.59 | Inhibition of human P2X7 receptor in HEK cells by fluorescence based calcium inf... | 36893624 |
| P2X purinoceptor 7 | IC50 | = | 1905.0 | nM | 5.72 | Inhibition of mouse P2X7 receptor in HEK cells by fluorescence based calcium inf... | 36893624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36893624 | 10.1016/j.ejmech.2023.115234 | ADMET | 4 |
| 36893624 | 10.1016/j.ejmech.2023.115234 | P2X purinoceptor 7 | 2 |
| 14592505 | 10.1016/j.bmcl.2003.08.034 | P2X purinoceptor 7 | 1 |
| 18524586 | 10.1016/j.bmcl.2008.05.062 | P2Y purinoceptor 1 | 1 |
| 18524586 | 10.1016/j.bmcl.2008.05.062 | P2X purinoceptor 7 | 1 |
| 18524586 | 10.1016/j.bmcl.2008.05.062 | P2Y purinoceptor 2 | 1 |
| 18524586 | 10.1016/j.bmcl.2008.05.062 | P2Y purinoceptor 4 | 1 |
| 19191585 | 10.1021/jm801528x | P2X purinoceptor 7 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine