Molecule Details
| InChIKey | QWRCKPSAXDHLDB-KMYQNFSZSA-N |
|---|---|
| Compound Name | (2S)-2-amino-N-[4-[(2S,5S,8S,14S,17R)-8,14-dibenzyl-5-[(1R)-1-hydroxyethyl]-17-(1H-indol-3-ylmethyl)-3,6,9,12,15,18-hexaoxo-10-[(1S)-1-phenylethyl]-1,4,7,10,13,16-hexazacyclooctadec-2-yl]butyl]-3-phenylpropanamide |
| Canonical SMILES | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN([C@@H](C)c2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.8 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P30874 | SSTR2 | Homo sapiens | Human | PF00001 | 7.9 | Kd | ChEMBL;BindingDB |
| P35346 | SSTR5 | Homo sapiens | Human | PF00001 | 7.1 | Kd | ChEMBL;BindingDB |
| P32745 | SSTR3 | Homo sapiens | Human | PF00001 | 6.3 | Kd | ChEMBL;BindingDB |
| P31391 | SSTR4 | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL;BindingDB |