Compound Detail
CHEMBL216606
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CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL216606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDFJYGJKEXYVCG-JEYKLBOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1136.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL3944 | Ki | 8.19 | 8.1 | 6.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | Ki | = | 6.4 | nM | 8.19 | Tested for inhibition of vasopressin-stimulated adenylate cyclase of medullary m... | 2933517 |
| Vasopressin V2 receptor | Ki | = | 6.4 | nM | 8.19 | Compound was tested for inhibition against V2 vasopressin receptor in pig renal ... | 2946863 |
| Vasopressin V2 receptor | Ki | = | 12.0 | nM | 7.92 | Tested for inhibition of [3H]LVP binding to vasopressin receptor in medullary me... | 2933517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2933517 | 10.1021/jm00150a003 | Vasopressin V2 receptor | 2 |
| 2946863 | 10.1021/jm00162a001 | Vasopressin V2 receptor | 2 |
| 2933517 | 10.1021/jm00150a003 | Rattus norvegicus | 1 |
| 2946863 | 10.1021/jm00162a001 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine