Compound Detail
CHEMBL4161422
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Basic Information
| ChEMBL ID | CHEMBL4161422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOKNAEFXRCKIQT-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
363.9
MW (Da)
5.10
ALogP
5
HBA
0
HBD
57.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL5183 | IC50 | 6.99 | 6.98 | 103.0 | 2 |
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 6.97 | 6.97 | 108.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.81 | 5.81 | 1550.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.55 | 5.55 | 2800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 103.0 | nM | 6.99 | Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages asses... | 28858765 |
| P2X purinoceptor 7 | IC50 | = | 107.0 | nM | 6.97 | Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages asses... | 28858765 |
| P2X purinoceptor 7 | IC50 | = | 108.0 | nM | 6.97 | Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as... | 28858765 |
| Unchecked | IC50 | = | 1550.0 | nM | 5.81 | Inhibition of Plasmodium falciparum SR21 | 37556947 |
| Plasmodium falciparum | IC50 | = | 2800.0 | nM | 5.55 | Antimalarial activity against Plasmodium falciparum 3D7 assessed as inhibition o... | 37556947 |
| Plasmodium falciparum | IC50 | = | 2800.0 | nM | 5.55 | Antiplasmodial activity against Plasmodium falciparum 3D7 infected in human red ... | 37542987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28858765 | 10.1016/j.ejmech.2017.08.034 | P2X purinoceptor 7 | 6 |
| 28858765 | 10.1016/j.ejmech.2017.08.034 | Peritoneal macrophage | 2 |
| 37556947 | 10.1016/j.ejmech.2023.115694 | Plasmodium falciparum | 1 |
| 37556947 | 10.1016/j.ejmech.2023.115694 | Unchecked | 1 |
| 37542987 | 10.1016/j.ejmech.2023.115699 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine