Compound Detail
CHEMBL4291798
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Basic Information
| ChEMBL ID | CHEMBL4291798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTMNWPFBKJYGDC-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
253.1
MW (Da)
2.23
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 6.38 | 6.38 | 414.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 6.2 | 6.2 | 633.0 | 1 |
| Peritoneal macrophage CHEMBL5314330 | IC50 | 6.17 | 6.17 | 677.0 | 1 |
| P2X purinoceptor 7 CHEMBL5183 | IC50 | 6.15 | 6.15 | 712.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 414.0 | nM | 6.38 | Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibit... | 29133043 |
| THP-1 | IC50 | = | 633.0 | nM | 6.2 | Antiinflammatory activity in LPS/IFNgamma-differentiated human THP1 cells assess... | 29133043 |
| Peritoneal macrophage | IC50 | = | 677.0 | nM | 6.17 | Antiinflammatory activity in LPS/IFNgamma-differentiated Swiss Webster mouse per... | 29133043 |
| P2X purinoceptor 7 | IC50 | = | 712.0 | nM | 6.15 | Antagonist activity at P2X7R in Swiss Webster mouse peritoneal macrophages asses... | 29133043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29133043 | 10.1016/j.ejmech.2017.10.033 | Peritoneal macrophage | 6 |
| 29133043 | 10.1016/j.ejmech.2017.10.033 | P2X purinoceptor 7 | 3 |
| 29133043 | 10.1016/j.ejmech.2017.10.033 | Unchecked | 1 |
| 29133043 | 10.1016/j.ejmech.2017.10.033 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine