Compound Detail
CHEMBL405500
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CC(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)[O-])c5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c45)ccc3C(C)C)c2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL405500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYYOBJSSIZYIGA-UHFFFAOYSA-H |
| Parent Compound | CHEMBL1207434 |
| Active Moiety | CHEMBL1207434 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1353.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Ki 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.96 | 6.96 | 111.0 | 1 |
| P2Y purinoceptor 11 CHEMBL4867 | Ki | 6.35 | 6.35 | 446.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 111.0 | nM | 6.96 | Inhibition of Plasmodium falciparum falcipain-2 peptidolytic activity using Z-Ph... | 23680445 |
| P2Y purinoceptor 11 | Ki | = | 446.68 | nM | 6.35 | Inhibitory concentration against P2Y purinoceptor 11 expressed in 1321N1 astrocy... | 16250663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16250663 | 10.1021/jm050301p | P2Y purinoceptor 11 | 3 |
| 16250663 | 10.1021/jm050301p | P2Y purinoceptor 1 | 1 |
| 16250663 | 10.1021/jm050301p | P2Y purinoceptor 2 | 1 |
| 23680445 | 10.1016/j.bmc.2013.04.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine