Compound Detail
CHEMBL3740237
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Basic Information
| ChEMBL ID | CHEMBL3740237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIOWXVRMSLPBEY-ZDUSSCGKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.3
MW (Da)
3.73
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 8.05 | 7.51 | 9.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 9.0 | nM | 8.05 | Antagonist activity at human P2X7R expressed in BzATP-stimulated human 1321N1 ce... | 26460788 |
| P2X purinoceptor 7 | IC50 | = | 107.0 | nM | 6.97 | Antagonist activity at P2X7R in human whole blood assessed as inhibition of LPS-... | 26460788 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26460788 | 10.1021/acs.jmedchem.5b00365 | P2X purinoceptor 7 | 2 |
Data from ChEMBL 36 via Core Engine