Molecule Details
| InChIKey | LUPYACIUYLGDJP-ATRICVITSA-N |
|---|---|
| Compound Name | [(1S,4E)-cyclooct-4-en-1-yl] N-[4-[(5R,8S,11S)-5-methyl-6,9,13-trioxo-11-[(E)-4-sulfanylbut-1-enyl]-10-oxa-3,17-dithia-7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(18),2(20),16(19)-trien-8-yl]butyl]carbamate |
| Canonical SMILES | C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](CCCCNC(=O)O[C@@H]1CC/C=C/CCC1)NC2=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.71 |
| Source | ChEMBL |
2D Structure
Activity Profile