Molecule Details
| InChIKey | PDUMJXCNOKHQKH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-(3-methylbutanoylamino)phenyl]-5-carbamoylbenzoic acid |
| Canonical SMILES | CC(C)CC(=O)Nc1cc(-c2ccc(C(N)=O)cc2C(=O)O)cc(C2CC(C)(c3ccccc3)c3cc(C(=N)N)ccc3N2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.92 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P03951 | F11 | Homo sapiens | Human | PF00024 PF00089 | 9.7 | Ki | ChEMBL;BindingDB |
| P03952 | KLKB1 | Homo sapiens | Human | PF00024 PF00089 | 8.3 | Ki | ChEMBL |
| P04070 | PROC | Homo sapiens | Human | PF14670 PF00594 PF00089 | 7.1 | Ki | ChEMBL;BindingDB |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 6.5 | Ki | ChEMBL;BindingDB |
| P08709 | F7 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 6.2 | Ki | ChEMBL |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.1 | Ki | ChEMBL |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 6.1 | Ki | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 6.1 | Ki | ChEMBL |
| P00747 | PLG | Homo sapiens | Human | PF00051 PF00024 PF00089 | 6.0 | Ki | ChEMBL;BindingDB |