Molecule Details
| InChIKey | MTMPCPNOILQDFF-YQQYPUKXSA-N |
|---|---|
| Compound Name | Des-AA1,2,5-[DTrp8,Amp9]-SRIF |
| Canonical SMILES | C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(CN)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.61 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35346 | SSTR5 | Homo sapiens | Human | PF00001 | 6.7 | IC50 | ChEMBL;BindingDB |
| P30874 | SSTR2 | Homo sapiens | Human | PF00001 | 6.7 | IC50 | ChEMBL;BindingDB |
| P31391 | SSTR4 | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL;BindingDB |
| P32745 | SSTR3 | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL;BindingDB |
| P30872 | SSTR1 | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL;BindingDB |