Compound Detail
CHEMBL216504
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O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)c1)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL216504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMQURVHYTBGYSQ-UHFFFAOYSA-H |
| Parent Compound | CHEMBL1206126 |
| Active Moiety | CHEMBL1206126 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
1031.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.78 | 6.78 | 167.0 | 1 |
| P2X purinoceptor 1 CHEMBL2094 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 4.54 | 4.54 | 28500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 167.0 | nM | 6.78 | Inhibition of Plasmodium falciparum falcipain-2 peptidolytic activity using Z-Ph... | 23680445 |
| P2X purinoceptor 1 | IC50 | = | 210.0 | nM | 6.68 | The compound was evaluated for antagonist activity against recombinant human P2X... | 12213051 |
| P2X purinoceptor 3 | IC50 | = | 28500.0 | nM | 4.54 | The compound was evaluated for antagonist activity against recombinant human P2X... | 12213051 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213051 | 10.1021/jm020046y | P2X purinoceptor 1 | 1 |
| 12213051 | 10.1021/jm020046y | P2X purinoceptor 2 | 1 |
| 12213051 | 10.1021/jm020046y | P2X purinoceptor 3 | 1 |
| 12213051 | 10.1021/jm020046y | P2X purinoceptor 4 | 1 |
| 16250663 | 10.1021/jm050301p | P2Y purinoceptor 1 | 1 |
| 16250663 | 10.1021/jm050301p | P2Y purinoceptor 2 | 1 |
| 16250663 | 10.1021/jm050301p | P2Y purinoceptor 11 | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 23680445 | 10.1016/j.bmc.2013.04.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine