Compound Detail
CHEMBL264540
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CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@@H]3C(=O)NCCCCCN)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 | CHEMBL264540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCCJSYKFXXWBSR-TVMZQVGDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1008.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL3944 | Ki | 8.14 | 7.83 | 7.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | Ki | = | 7.2 | nM | 8.14 | Tested for inhibition of vasopressin-stimulated adenylate cyclase of medullary m... | 2933517 |
| Vasopressin V2 receptor | Ki | = | 30.0 | nM | 7.52 | 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 |
| 2933517 | 10.1021/jm00150a003 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine