Molecule Details
| InChIKey | HCONWOFFAXZHQA-HNNXBMFYSA-N |
|---|---|
| Compound Name | tert-butyl 2-[[(6S)-6-[(4-carbamimidoylphenyl)methylcarbamoyl]-1-chloro-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazin-3-yl]amino]acetate |
| Canonical SMILES | CC(C)(C)OC(=O)CNc1nc(Cl)c2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)N)cc1)CC2(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.95 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 7.5 | Ki | ChEMBL;BindingDB |
| P08709 | F7 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 6.9 | Ki | ChEMBL |
| P13726 | F3 | Homo sapiens | Human | PF09294 PF01108 | 6.9 | Ki | ChEMBL |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 6.5 | Ki | ChEMBL;BindingDB |