Molecule Details
| InChIKey | WPANQPAWMQHJEJ-VHHLQSIKSA-N |
|---|---|
| Compound Name | 2-[2-({2-[2-(4-Cyano-benzylsulfanyl)-acetylamino]-3-methyl-pentyl}-naphthalen-1-ylmethyl-amino)-acetylamino]-4-methylsulfanyl-butyric acid |
| Canonical SMILES | CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)CSCc1ccc(C#N)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.27 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49354 | FNTA | Homo sapiens | Human | PF01239 | 8.3 | pIC50 | TTD_MultiTarget |
| P49356 | FNTB | Homo sapiens | Human | PF00432 | 8.3 | IC50 | ChEMBL |
| P22007 | RAM1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF00432 | 8.3 | IC50 | ChEMBL;BindingDB |
| P29703 | RAM2 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF01239 | 8.3 | IC50 | ChEMBL |