Molecule Details
| InChIKey | WSQSTYRDZFLOBK-UCRWPKHMSA-N |
|---|---|
| Compound Name | N-[3-[2-[2-[3-[[2-[2-[[(4R,9S,12S,15S,18S,21S,24R)-4-[(2-amino-2-oxoethyl)carbamoyl]-9,18-dibenzyl-15-(3-carbamimidamidopropyl)-21-[(1R)-1-hydroxyethyl]-6,8,11,14,17,20,23-heptaoxo-12-propan-2-yl-1,2-dithia-5,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-2-oxoethoxy]acetyl]amino]propoxy]ethoxy]ethoxy]propyl]-N'-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N'-methylbutanediamide |
| Canonical SMILES | CO[C@@H]1[C@H](N(C)C(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@H]2CSSC[C@@H](C(=O)NCC(N)=O)NC(=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC2=O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.59 |
| Source | ChEMBL |
2D Structure
Activity Profile