Compound Detail
CHEMBL4644398
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Basic Information
| ChEMBL ID | CHEMBL4644398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGACTSAOCINRLN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
367.2
MW (Da)
4.82
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 1 CHEMBL2094 | IC50 | 7.15 | 7.15 | 70.6 | 1 |
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 6.07 | 6.07 | 857.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 1 | IC50 | = | 70.6 | nM | 7.15 | Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera... | 32345019 |
| P2X purinoceptor 7 | IC50 | = | 857.0 | nM | 6.07 | Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells asses... | 32345019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32345019 | 10.1021/acs.jmedchem.0c00435 | P2X purinoceptor 1 | 3 |
| 32345019 | 10.1021/acs.jmedchem.0c00435 | P2X purinoceptor 2 | 2 |
| 32345019 | 10.1021/acs.jmedchem.0c00435 | P2X purinoceptor 3 | 2 |
| 32345019 | 10.1021/acs.jmedchem.0c00435 | P2X purinoceptor 4 | 2 |
| 32345019 | 10.1021/acs.jmedchem.0c00435 | P2X purinoceptor 7 | 1 |
Data from ChEMBL 36 via Core Engine