Compound Detail
CHEMBL413145
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O=C(Nc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)[O-])c4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c34)ccc2F)c1)Nc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)[O-])c4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c34)ccc2F)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL413145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFKJKZYADCSCBI-UHFFFAOYSA-H |
| Parent Compound | CHEMBL1207514 |
| Active Moiety | CHEMBL1207514 |
7
Targets
10
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
1305.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 7.38
Ki 1 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| P2Y purinoceptor 11 CHEMBL4867 | Ki | 7.35 | 7.35 | 44.7 | 1 |
| P2X purinoceptor 1 CHEMBL2094 | IC50 | 7.2 | 7.2 | 63.1 | 1 |
| P2X purinoceptor 4 CHEMBL2818 | IC50 | 7.09 | 7.09 | 81.3 | 1 |
| P2X purinoceptor 2 CHEMBL2135 | IC50 | 6.86 | 6.86 | 138.0 | 1 |
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 6.45 | 6.45 | 354.8 | 1 |
| P2Y purinoceptor 11 CHEMBL4867 | IC50 | 6.34 | 6.34 | 457.1 | 1 |
| P2X purinoceptor 3 CHEMBL4824 | IC50 | 6.11 | 6.11 | 776.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16250663 | 10.1021/jm050301p | P2Y purinoceptor 11 | 4 |
| 16250663 | 10.1021/jm050301p | P2X purinoceptor 4 | 3 |
| 16250663 | 10.1021/jm050301p | P2Y purinoceptor 1 | 2 |
| 16250663 | 10.1021/jm050301p | P2X purinoceptor 3 | 2 |
| 16250663 | 10.1021/jm050301p | P2Y purinoceptor 2 | 2 |
| 16250663 | 10.1021/jm050301p | P2X purinoceptor 7 | 1 |
| 16250663 | 10.1021/jm050301p | P2X purinoceptor 1 | 1 |
| 16250663 | 10.1021/jm050301p | P2X purinoceptor 2 | 1 |
| 23680445 | 10.1016/j.bmc.2013.04.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine