Molecule Details
| InChIKey | MNADYPWSJDDNJK-SGOUQRLHSA-N |
|---|---|
| Compound Name | (1R,3R,6R,7S,8R,10S,11S,14R,15S,20S)-8-hydroxy-7-[(1S)-1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-6,10,15-trimethyl-18-propan-2-yl-17-thia-19-azahexacyclo[12.8.0.01,3.03,11.06,10.015,20]docos-18-en-4-one |
| Canonical SMILES | COc1cccc(CN(C)[C@@H](C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5[C@]6(C)CSC(C(C)C)=N[C@H]6CC[C@@]56C[C@@]46C(=O)C[C@]23C)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.42 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile