Compound Detail
CHEMBL414074
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N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2cccnc2)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 | CHEMBL414074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEAHYTRPVNOHKL-ZHFJCBJKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
1054.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL3766 | Ki | 7.16 | 7.16 | 69.0 | 1 |
| Vasopressin V1b receptor CHEMBL2659 | Ki | 6.95 | 6.95 | 112.0 | 1 |
| Vasopressin V1a receptor CHEMBL2868 | Ki | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | Ki | = | 69.0 | nM | 7.16 | Displacement of [3H]AVP from vasopressin V2 receptor in rat kidney membranes | 17300166 |
| Vasopressin V1b receptor | Ki | = | 112.0 | nM | 6.95 | Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 ce... | 17300166 |
| Vasopressin V1a receptor | Ki | = | 450.0 | nM | 6.35 | Displacement of [3H]AVP from vasopressin V1a receptor in rat liver membrane | 17300166 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17300166 | 10.1021/jm060928n | Rattus norvegicus | 2 |
| 17300166 | 10.1021/jm060928n | Oxytocin receptor | 1 |
| 17300166 | 10.1021/jm060928n | Vasopressin V1b receptor | 1 |
| 17300166 | 10.1021/jm060928n | Vasopressin V2 receptor | 1 |
| 17300166 | 10.1021/jm060928n | Vasopressin V1a receptor | 1 |
| 17300166 | 10.1021/jm060928n | Vasopressin V1 receptor | 1 |
| 17300166 | 10.1021/jm060928n | Vasopressin receptor | 1 |
Data from ChEMBL 36 via Core Engine