Molecule Details
| InChIKey | IQUJPSZZBAYWMS-JBSWOLFVSA-N |
|---|---|
| Compound Name | (E)-1-[(1S,2S,6R,14R,15S,16R,20R)-11-hydroxy-15-methoxy-5-methyl-13-oxa-5,18-diazaheptacyclo[13.5.2.12,8.01,6.02,14.016,20.012,23]tricosa-8(23),9,11,21-tetraen-18-yl]-3-(4-methylphenyl)prop-2-en-1-one |
| Canonical SMILES | CO[C@@]12C=C[C@@]3([C@@H]4CN(C(=O)/C=C/c5ccc(C)cc5)C[C@@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.83 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile