Compound Detail
CHEMBL3350781
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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)NC4CCN(C)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1
Basic Information
| ChEMBL ID | CHEMBL3350781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUDFPXVGQHWSJN-NTGUUYCISA-O |
3
Targets
3
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1405.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.16
IC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apelin receptor CHEMBL1628481 | Ki | 6.16 | 6.16 | 690.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | Ki | 5.65 | 5.65 | 2230.0 | 1 |
| Apelin receptor CHEMBL2398 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 10.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apelin receptor | Ki | = | 690.0 | nM | 6.16 | Displacement of [125I]-pE13F from human apelin receptor expressed in CHO cell me... | 24625069 |
| Type-1 angiotensin II receptor | Ki | = | 2230.0 | nM | 5.65 | Displacement of [125I]-angiotensin 2 from human angiotensin 2 type-1 receptor ex... | 24625069 |
| Apelin receptor | IC50 | = | 4300.0 | nM | 5.37 | Agonist activity at rat apelin receptor expressed in CHO cell membranes coexpres... | 24625069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24625069 | 10.1021/jm401789v | Apelin receptor | 6 |
| 24625069 | 10.1021/jm401789v | Type-1 angiotensin II receptor | 1 |
| 24625069 | 10.1021/jm401789v | Unchecked | 1 |
| 24625069 | 10.1021/jm401789v | Plasma | 1 |
Data from ChEMBL 36 via Core Engine