Molecule Details
| InChIKey | AMFHYXNMOKDWIW-BDLUSVDQSA-N |
|---|---|
| Compound Name | (4R,7S,10S,13S,16S)-N-[(2R)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-7-(2-amino-2-oxoethyl)-13-benzyl-20,20-dicyclopentyl-16-[(4-ethoxyphenyl)methyl]-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide |
| Canonical SMILES | CCOc1ccc(C[C@@H]2NC(=O)CC(C3CCCC3)(C3CCCC3)SSC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.72 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43306 | ADCY6 | Homo sapiens | Human | PF16214 PF06327 PF00211 | 8.7 | Ki | ChEMBL |
| O60266 | ADCY3 | Homo sapiens | Human | PF16214 PF00211 | 8.7 | Ki | ChEMBL |
| O60503 | ADCY9 | Homo sapiens | Human | PF00211 | 8.7 | Ki | ChEMBL |
| O95622 | ADCY5 | Homo sapiens | Human | PF16214 PF06327 PF00211 | 8.7 | Ki | ChEMBL |
| P40145 | ADCY8 | Homo sapiens | Human | PF16214 PF06327 PF00211 | 8.7 | Ki | ChEMBL |
| P51828 | ADCY7 | Homo sapiens | Human | PF16214 PF06327 PF00211 | 8.7 | Ki | ChEMBL |
| Q08462 | ADCY2 | Homo sapiens | Human | PF16214 PF06327 PF00211 | 8.7 | Ki | ChEMBL |
| Q08828 | ADCY1 | Homo sapiens | Human | PF16214 PF00211 | 8.7 | Ki | ChEMBL |
| Q8NFM4 | ADCY4 | Homo sapiens | Human | PF16214 PF06327 PF00211 | 8.7 | Ki | ChEMBL |