Compound Detail
CHEMBL540192
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CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(N)=O)ccc21
Basic Information
| ChEMBL ID | CHEMBL540192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUMOOBOQCBFZCV-FECLWYEOSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1525.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | Ki | 10.15 | 10.15 | 0.1 | 1 |
| Oxytocin receptor CHEMBL2049 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| Vasopressin V1b receptor CHEMBL1921 | Ki | 7.57 | 7.57 | 27.0 | 1 |
| Vasopressin V2 receptor CHEMBL1790 | Ki | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | Ki | = | 0.07 | nM | 10.15 | Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes ... | 10197974 |
| Oxytocin receptor | Ki | = | 1.2 | nM | 8.92 | The inhibition constant (Ki(nM)) by displacement of [125I]- HO-LVA radiolabeled ... | 10197974 |
| Vasopressin V1b receptor | Ki | = | 27.0 | nM | 7.57 | The inhibition constant (Ki(nM)) by displacement of [125I]- HO-LVA radiolabeled ... | 10197974 |
| Vasopressin V2 receptor | Ki | = | 7500.0 | nM | 5.12 | 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