Molecule Details
| InChIKey | XYUFCXJZFZPEJD-XMSQKQJNSA-N |
|---|---|
| Compound Name | Balanol |
| Canonical SMILES | O=C(N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 23 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.66 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (23)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13976 | PRKG1 | Homo sapiens | Human | PF00027 PF16808 PF00069 | 8.8 | Kd | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.3 | pIC50 | TTD_MultiTarget |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 8.3 | IC50 | ChEMBL;BindingDB |
| P22612 | PRKACG | Homo sapiens | Human | PF00069 | 8.3 | Ki | ChEMBL |
| P22694 | PRKACB | Homo sapiens | Human | PF00069 | 8.3 | Ki | ChEMBL |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 8.3 | Ki | ChEMBL |
| P41743 | PRKCI | Homo sapiens | Human | PF00130 PF00564 PF00069 PF00433 | 8.3 | Ki | ChEMBL |
| Q04759 | PRKCQ | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 8.3 | Ki | ChEMBL |
| Q05513 | PRKCZ | Homo sapiens | Human | PF00130 PF00564 PF00069 PF00433 | 8.3 | Ki | ChEMBL |
| Q15139 | PRKD1 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 8.3 | Ki | ChEMBL |
| P24723 | PRKCH | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 7.6 | IC50 | ChEMBL;BindingDB |
| P05129 | PRKCG | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.5 | IC50 | ChEMBL;BindingDB |
| P05771 | PRKCB | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.4 | IC50 | ChEMBL;BindingDB |
| P25098 | GRK2 | Homo sapiens | Human | PF00169 PF00069 PF00615 | 7.4 | IC50 | ChEMBL;BindingDB |
| P35626 | GRK3 | Homo sapiens | Human | PF00169 PF00069 PF00615 | 7.3 | IC50 | ChEMBL;BindingDB |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.2 | IC50 | ChEMBL;BindingDB |
| P34947 | GRK5 | Homo sapiens | Human | PF00069 PF00615 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q8WTQ7 | GRK7 | Homo sapiens | Human | PF00069 PF00615 | 6.7 | IC50 | ChEMBL;BindingDB |
| P32298 | GRK4 | Homo sapiens | Human | PF00069 PF00615 | 6.6 | IC50 | ChEMBL;BindingDB |
| Q15835 | GRK1 | Homo sapiens | Human | PF00069 PF00615 | 6.5 | IC50 | ChEMBL;BindingDB |
| P43250 | GRK6 | Homo sapiens | Human | PF00069 PF00615 | 6.3 | IC50 | ChEMBL;BindingDB |