Molecule Details
| InChIKey | IDFDGLCIRPBHPZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]acetic Acid |
| Canonical SMILES | N=C(N)c1ccc2[nH]c(-c3cc(CC(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.26 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08709 | F7 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 8.5 | Ki | ChEMBL;BindingDB |
| P13726 | F3 | Homo sapiens | Human | PF09294 PF01108 | 8.5 | Ki | ChEMBL |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 7.3 | Ki | ChEMBL;BindingDB |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.4 | Ki | ChEMBL |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 6.4 | Ki | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 6.4 | Ki | ChEMBL |