Compound Detail
CHEMBL3740645
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Cc1ccc(-c2ccnn(CCO)c2=O)cc1NC(=O)C1=CN(C)C(=O)C[C@H]1c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL3740645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGEOVIQRQNEECN-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
2.82
ALogP
6
HBA
2
HBD
104.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 17.0 | nM | 7.77 | 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 | 1 |
| 26460788 | 10.1021/acs.jmedchem.5b00365 | Salmonella typhimurium | 1 |
Data from ChEMBL 36 via Core Engine