Compound Detail
CHEMBL412210
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CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N(C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL412210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXYAVSQTBRVYRE-RIINPDRTSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1471.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | Ki | 9.77 | 9.77 | 0.2 | 1 |
| Oxytocin receptor CHEMBL2049 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Vasopressin V1b receptor CHEMBL1921 | Ki | 6.85 | 6.85 | 142.0 | 1 |
| Vasopressin V2 receptor CHEMBL1790 | Ki | 5.04 | 5.04 | 9200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | Ki | = | 0.17 | nM | 9.77 | Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes ... | 10197974 |
| Oxytocin receptor | Ki | = | 1.6 | nM | 8.8 | The inhibition constant (Ki(nM)) by displacement of [125I]- HO-LVA radiolabeled ... | 10197974 |
| Vasopressin V1b receptor | Ki | = | 142.0 | nM | 6.85 | The inhibition constant (Ki(nM)) by displacement of [125I]- HO-LVA radiolabeled ... | 10197974 |
| Vasopressin V2 receptor | Ki | = | 9200.0 | nM | 5.04 | The inhibition constant (Ki(nM)) by displacement of [125I]- HO-LVA radiolabeled ... | 10197974 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10197974 | 10.1021/jm9804782 | Vasopressin V1a receptor | 1 |
| 10197974 | 10.1021/jm9804782 | Vasopressin V1b receptor | 1 |
| 10197974 | 10.1021/jm9804782 | Vasopressin V2 receptor | 1 |
| 10197974 | 10.1021/jm9804782 | Oxytocin receptor | 1 |
Data from ChEMBL 36 via Core Engine