Molecule Details
| InChIKey | NTNRVRBIIZBTBR-JOCHJYFZSA-N |
|---|---|
| Compound Name | 2-[2-[[5-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-3,3-dimethyl-2H-1-benzofuran-7-yl]methoxy]phenyl]acetic acid |
| Canonical SMILES | CC1(C)COc2c(COc3ccccc3CC(=O)O)cc(-c3ccc4c(c3)[C@H](N)CO4)cc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.21 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P03952 | KLKB1 | Homo sapiens | Human | PF00024 PF00089 | 8.2 | IC50 | ChEMBL;BindingDB |
| P00749 | PLAU | Homo sapiens | Human | PF00051 PF00089 | 7.8 | IC50 | ChEMBL;BindingDB |
| P03951 | F11 | Homo sapiens | Human | PF00024 PF00089 | 7.8 | IC50 | ChEMBL;BindingDB |
| P00746 | CFD | Homo sapiens | Human | PF00089 | 7.3 | IC50 | ChEMBL;BindingDB |
| P00750 | PLAT | Homo sapiens | Human | PF00008 PF00039 PF00051 PF00089 | 7.0 | IC50 | ChEMBL;BindingDB |
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 6.9 | IC50 | ChEMBL;BindingDB |
| P00740 | F9 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 6.7 | IC50 | ChEMBL;BindingDB |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 6.1 | IC50 | ChEMBL;BindingDB |