Molecule Details
| InChIKey | ZDMYKWNIEWNTLR-HSZRJFAPSA-N |
|---|---|
| Compound Name | 2-[2-[[5-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-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)CCO4)cc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.92 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P03952 | KLKB1 | Homo sapiens | Human | PF00024 PF00089 | 8.4 | IC50 | ChEMBL;BindingDB |
| P03951 | F11 | Homo sapiens | Human | PF00024 PF00089 | 7.4 | IC50 | ChEMBL;BindingDB |
| P00750 | PLAT | Homo sapiens | Human | PF00008 PF00039 PF00051 PF00089 | 6.7 | IC50 | ChEMBL;BindingDB |
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 6.1 | IC50 | ChEMBL;BindingDB |
| P00749 | PLAU | Homo sapiens | Human | PF00051 PF00089 | 6.0 | IC50 | ChEMBL;BindingDB |