Molecule Details
| InChIKey | NHDDTLMPCVOXFH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3,13-Diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tetracosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione |
| Canonical SMILES | O=C1NC(=O)c2c1c1c(c3[nH]c4ccccc4c23)CCc2ccccc2-1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 16 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.08 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (16)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q16584 | MAP3K11 | Homo sapiens | Human | PF07714 PF14604 | 7.9 | IC50 | ChEMBL;BindingDB |
| P80192 | MAP3K9 | Homo sapiens | Human | PF07714 PF14604 | 7.7 | IC50 | ChEMBL;BindingDB |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 7.1 | IC50 | ChEMBL |
| P05129 | PRKCG | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.1 | IC50 | ChEMBL |
| P05771 | PRKCB | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.1 | IC50 | ChEMBL |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.1 | IC50 | ChEMBL |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.1 | pIC50 | TTD_MultiTarget |
| P24723 | PRKCH | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.1 | IC50 | ChEMBL |
| P41743 | PRKCI | Homo sapiens | Human | PF00130 PF00564 PF00069 PF00433 | 7.1 | IC50 | ChEMBL |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.1 | IC50 | ChEMBL |
| Q04759 | PRKCQ | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 7.1 | IC50 | ChEMBL |
| Q05513 | PRKCZ | Homo sapiens | Human | PF00130 PF00564 PF00069 PF00433 | 7.1 | IC50 | ChEMBL |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 7.1 | IC50 | ChEMBL |
| Q15139 | PRKD1 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 7.1 | IC50 | ChEMBL |
| Q02779 | MAP3K10 | Homo sapiens | Human | PF07714 PF14604 | 6.5 | IC50 | ChEMBL;BindingDB |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL |