Compound Detail
CHEMBL3234448
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CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCCCCCCCCNC(=O)NCCCC[C@H](NC(=O)Cc4csc(=N)n4C)C(=O)N[C@@H](Cc4cn(Cc5ccccc5)c[n+]4C)C(=O)NC4CC[N+](C)(C)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1
Basic Information
| ChEMBL ID | CHEMBL3234448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIQZUGYXWKVLQS-VKOZLBNWSA-P |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1420.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apelin receptor CHEMBL1628481 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apelin receptor | Ki | = | 1400.0 | nM | 5.85 | Displacement of [125I]-pE13F from human apelin receptor expressed in CHO cell me... | 24625069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24625069 | 10.1021/jm401789v | Apelin receptor | 1 |
Data from ChEMBL 36 via Core Engine