Molecule Details
| InChIKey | YLOURKKYJRCESD-GDLZYMKVSA-N |
|---|---|
| Compound Name | (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-7-ethylsulfonyl-17-methyl-4,11-diazatricyclo[14.2.2.16,10]henicosa-1(18),6,8,10(21),16,19-hexaene-3,12-dione |
| Canonical SMILES | CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)CCCC(=O)N2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.34 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08709 | F7 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 8.8 | Ki | ChEMBL;BindingDB |
| P13726 | F3 | Homo sapiens | Human | PF09294 PF01108 | 8.8 | Ki | ChEMBL |
| P06870 | KLK1 | Homo sapiens | Human | PF00089 | 7.0 | Ki | ChEMBL;BindingDB |
| P04070 | PROC | Homo sapiens | Human | PF14670 PF00594 PF00089 | 6.1 | Ki | ChEMBL;BindingDB |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 6.0 | Ki | ChEMBL;BindingDB |