Molecule Details
| InChIKey | NEQGCINBAXAQKD-QJLKIGBLSA-N |
|---|---|
| Compound Name | (4E,7S,10S,13S)-13-acetamido-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-10-(2-methylpropyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.2.2]nonadeca-1(17),4,15,18-tetraene-7-carboxamide |
| Canonical SMILES | CC(=O)N[C@H]1Cc2ccc(cc2)OC/C=C/C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(C)C)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.33 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05981 | HPN | Homo sapiens | Human | PF09272 PF00089 | 9.8 | IC50 | ChEMBL |
| O15393 | TMPRSS2 | Homo sapiens | Human | PF15494 PF00089 | 8.9 | IC50 | ChEMBL |
| Q9Y5Y6 | ST14 | Homo sapiens | Human | PF00431 PF00057 PF01390 PF00089 | 8.5 | IC50 | ChEMBL |
| Q04756 | HGFAC | Homo sapiens | Human | PF00008 PF00040 PF00051 PF00089 | 7.6 | IC50 | ChEMBL |
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 6.9 | IC50 | ChEMBL |