Compound Detail
CHEMBL408474
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NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL408474 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ZROKNFKQDJQQGV-FQMYWHBPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1057.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL3944 | Ki | 8.92 | 8.63 | 1.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | Ki | = | 1.2 | nM | 8.92 | Tested for inhibition of vasopressin-stimulated adenylate cyclase of medullary m... | 2933517 |
| Vasopressin V2 receptor | Ki | = | 4.6 | nM | 8.34 | 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 |
Data from ChEMBL 36 via Core Engine