Molecule Details
| InChIKey | PLVGDGRBPMVYPB-FDUHJNRSSA-N |
|---|---|
| Canonical SMILES | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(C)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.51 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11818 |
|---|---|
| Drug Name | Retosiban |
| CAS Number | 820957-38-8 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Retosiban has been used in trials studying the treatment of Premature Labor and Obstetric Labour, Premature. |
Cross-references: BindingDB: 50372608 CHEMBL429736 ChemSpider: 9515833 PDB: NU2 PubChem:11340891 PubChem:347828165 Wikipedia: Retosiban ZINC: ZINC000006718496
Target Activities (2)
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P30559 | OXTR | Oxytocin receptor | modulator | targets |