Molecule Details
| InChIKey | GNIYUURCQFKRCB-UHFFFAOYSA-N |
|---|---|
| Compound Name | CID 46179972 |
| Canonical SMILES | CC1(C)CC(N=C(O)c2cccc(-c3cc4nccc(Nc5cccc(O)c5)n4n3)c2)CC(C)(C)N1[O] |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.05 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 8.5 | IC50 | ChEMBL;BindingDB |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 8.4 | pIC50 | TTD_MultiTarget |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 8.3 | IC50 | ChEMBL;BindingDB |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.3 | IC50 | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.3 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.3 | pIC50 | TTD_MultiTarget |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.2 | IC50 | ChEMBL |
| P08631 | HCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q12851 | MAP4K2 | Homo sapiens | Human | PF00780 PF00069 | 7.6 | IC50 | ChEMBL;BindingDB |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.5 | IC50 | ChEMBL;BindingDB |
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 7.4 | IC50 | ChEMBL;BindingDB |