Molecule Details
| InChIKey | IQNLJVSLHOBMFI-NCMGZMCBSA-N |
|---|---|
| Compound Name | (4R,7S,10S,13R,16S,19S)-19-amino-N-[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-16-benzyl-7-[(4-hydroxy-3-(125I)iodophenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-10-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide |
| Canonical SMILES | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccc(O)c([125I])c3)NC2=O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.57 |
| Source | ChEMBL |
2D Structure
Activity Profile