Molecule Details
| InChIKey | MFWLUKUTJRERAH-MIFNUONNSA-N |
|---|---|
| Compound Name | (3R,6S,9S,12S,15S,18S,21R,24S,27S,30S,33S)-33-[(2S)-1-ethoxypropan-2-yl]-6-ethyl-9-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-3,4,10,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[29.2.1]tetratriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone |
| Canonical SMILES | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](C)C(=O)N2CN(C(=O)[C@@H]2[C@H](C)COCC)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.16 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile