Molecule Details
| InChIKey | GBWLZSRRLJETHI-YDPTYEFTSA-N |
|---|---|
| Compound Name | (9S,12S,15S)-15-acetamido-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-12-(2-methylpropyl)-11,14-dioxo-2-oxa-10,13-diazatricyclo[15.2.2.13,7]docosa-1(19),3,5,7(22),17,20-hexaene-9-carboxamide |
| Canonical SMILES | CC(=O)N[C@H]1Cc2ccc(cc2)Oc2cccc(c2)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 | 7.59 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05981 | HPN | Homo sapiens | Human | PF09272 PF00089 | 9.7 | IC50 | ChEMBL |
| O15393 | TMPRSS2 | Homo sapiens | Human | PF15494 PF00089 | 8.0 | IC50 | ChEMBL |
| Q04756 | HGFAC | Homo sapiens | Human | PF00008 PF00040 PF00051 PF00089 | 7.2 | IC50 | ChEMBL |
| Q9Y5Y6 | ST14 | Homo sapiens | Human | PF00431 PF00057 PF01390 PF00089 | 7.0 | IC50 | ChEMBL |
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 6.0 | IC50 | ChEMBL |