Compound Detail
CHEMBL4160315
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O=C(Nc1cc(C(=O)Nc2ccc(S(=O)(=O)[O-])cc2)cc(C(=O)Nc2ccc(S(=O)(=O)[O-])cc2)c1)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)[O-])cc2)cc(C(=O)Nc2ccc(S(=O)(=O)[O-])cc2)c1.[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL4160315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQJHZNCSXLBXMY-UHFFFAOYSA-J |
| Parent Compound | CHEMBL4300424 |
| Active Moiety | CHEMBL4300424 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1009.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 3 CHEMBL4824 | IC50 | 6.3 | 6.29 | 500.0 | 2 |
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 5.8 | 5.8 | 1580.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 3 | IC50 | = | 500.0 | nM | 6.3 | Antagonist activity at P2X3 receptor in rat DRG neurons at -70 mV holding potent... | 29649742 |
| P2X purinoceptor 3 | IC50 | = | 527.0 | nM | 6.28 | Antagonist activity at P2X3 receptor in Wistar rat DRG neurons assessed as inhib... | 27427902 |
| P2X purinoceptor 3 | IC50 | = | 1600.0 | nM | 5.8 | Antagonist activity at human P2X3 receptor expressed in 1321N1 cells assessed as... | 29649742 |
| P2X purinoceptor 3 | IC50 | = | 1580.0 | nM | 5.8 | Antagonist activity at human P2X3 receptor expressed in human 1321N1 cells asses... | 27427902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29649742 | 10.1016/j.ejmech.2018.03.023 | P2X purinoceptor 3 | 2 |
| 27427902 | 10.1021/acs.jmedchem.5b01690 | P2X purinoceptor 3 | 2 |
| 29649742 | 10.1016/j.ejmech.2018.03.023 | P2X purinoceptor 1 | 1 |
| 29649742 | 10.1016/j.ejmech.2018.03.023 | P2X purinoceptor 2 | 1 |
| 29649742 | 10.1016/j.ejmech.2018.03.023 | P2X purinoceptor 4 | 1 |
| 27427902 | 10.1021/acs.jmedchem.5b01690 | P2X purinoceptor 1 | 1 |
| 27427902 | 10.1021/acs.jmedchem.5b01690 | P2X purinoceptor 2 | 1 |
| 27427902 | 10.1021/acs.jmedchem.5b01690 | P2X purinoceptor 4 | 1 |
Data from ChEMBL 36 via Core Engine