Compound Detail
CHEMBL1819441
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N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)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(N)=O
Basic Information
| ChEMBL ID | CHEMBL1819441 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ANZXJGXSHMINOI-LGYYRGKSSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
1068.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 8 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL2868 | EC50 | 10.15 | 10.125 | 0.1 | 2 |
| Vasopressin V1a receptor CHEMBL1889 | EC50 | 9.82 | 9.815 | 0.1 | 2 |
| Vasopressin V2 receptor CHEMBL1790 | EC50 | 8.85 | 8.85 | 1.4 | 2 |
| Vasopressin V1b receptor CHEMBL1921 | EC50 | 7.8 | 7.8 | 15.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21688787 | 10.1021/jm200278m | Vasopressin V1a receptor | 4 |
| 21688787 | 10.1021/jm200278m | Unchecked | 2 |
| 21688787 | 10.1021/jm200278m | Vasopressin V1b receptor | 2 |
| 21688787 | 10.1021/jm200278m | Vasopressin V2 receptor | 2 |
| 21688787 | 10.1021/jm200278m | Oxytocin receptor | 2 |
| 21688787 | 10.1021/jm200278m | Rattus norvegicus | 1 |
| 21688787 | 10.1021/jm200278m | Vasopressin V1a/V2 | 1 |
Data from ChEMBL 36 via Core Engine