Molecule Details
| InChIKey | BYXGHJZXSWDEAC-KUFJZVQMSA-N |
|---|---|
| Compound Name | 1-[3-[(2S,5S,8S,11R,14S,17S,20S,27R)-14-(4-aminobutyl)-5-benzyl-27-[bis[2-[[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]ethyl]amino]-17-[(1R)-1-hydroxyethyl]-20-[(4-hydroxyphenyl)methyl]-11-(1H-indol-3-ylmethyl)-3,6,9,12,15,18,21,28-octaoxo-8-(pyridin-4-ylmethyl)-1,4,7,10,13,16,19,22-octazacyclooctacos-2-yl]propyl]guanidine |
| Canonical SMILES | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N(CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.74 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile