Molecule Details
| InChIKey | USBKPWRTJAXTBS-UHFFFAOYSA-N |
|---|---|
| Compound Name | Meridianin E |
| Canonical SMILES | Nc1nccc(-c2c[nH]c3c(Br)ccc(O)c23)n1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 16 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.6 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (16)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL |
| P22612 | PRKACG | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL |
| P22694 | PRKACB | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 6.8 | IC50 | ChEMBL;BindingDB |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 6.8 | IC50 | ChEMBL |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 6.8 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 6.8 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.7 | pIC50 | TTD_MultiTarget |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 6.7 | pIC50 | TTD_MultiTarget |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | pIC50 | TTD_MultiTarget |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.4 | pIC50 | TTD_MultiTarget |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |
| P53779 | MAPK10 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |