Molecule Details
| InChIKey | VWXRQYYUEIYXCZ-OBIMUBPZSA-N |
|---|---|
| Compound Name | Atosiban |
| Canonical SMILES | CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.61 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB09059 |
|---|---|
| Drug Name | Atosiban |
| CAS Number | 90779-69-4 |
| Groups | approved investigational |
| ATC Codes | G02CX01 |
| Description | Atosiban is an inhibitor of the hormones oxytocin and vasopressin. It is used intravenously to halt premature labor. Although initial studies suggested it could be used as a nasal spray and hence would not require hospital admission, it is not used in that form. Atobisan was developed by the Swedish... |
Categories: Amino Acids, Peptides, and Proteins Genito Urinary System and Sex Hormones Hormone Antagonists Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Peptide Hormones Peptides Pituitary Hormones Pituitary Hormones, Posterior Reproductive Control Agents Tocolytic Agents
Cross-references: BindingDB: 50177595 ChEBI: 135899 CHEMBL382301 ChemSpider: 4470550 D03008 RxCUI: 59639 Wikipedia: Atosiban ZINC: ZINC000169362009