Molecule Details
| InChIKey | IXBQSRWSVIBXNC-HSKGSTCASA-N |
|---|---|
| Compound Name | Nodularin R |
| Canonical SMILES | C/C=C1/C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.66 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile