Molecule Details
| InChIKey | QVFLVLMYXXNJDT-CSBVGUNJSA-N |
|---|---|
| Compound Name | Dotatate |
| Canonical SMILES | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.14 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB14554 |
|---|---|
| Drug Name | Dotatate |
| CAS Number | 177943-88-3 |
| Groups | approved investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Radioactive Diagnostic Agent
Cross-references: BindingDB: 50165166 CHEMBL441920 ChemSpider: 9345959 RxCUI: 1797118