Molecule Details
| InChIKey | ORWIYCURPDKSBI-XMMPIXPASA-N |
|---|---|
| Compound Name | 3-[(4-morpholin-4-ylbenzoyl)amino]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-1H-thieno[5,4-d]pyrazole-5-carboxamide |
| Canonical SMILES | O=C(Nc1n[nH]c2cc(C(=O)N[C@H](CN3CCCC3)c3ccccc3)sc12)c1ccc(N2CCOCC2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 15 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.06 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (15)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 7.8 | IC50 | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL;BindingDB |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.7 | IC50 | ChEMBL;BindingDB |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 7.5 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.4 | pIC50 | TTD_MultiTarget |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 7.3 | pIC50 | TTD_MultiTarget |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q9UQB9 | AURKC | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 7.0 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.8 | IC50 | ChEMBL;BindingDB |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 6.7 | IC50 | ChEMBL;BindingDB |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q9P289 | STK26 | Homo sapiens | Human | PF20929 PF00069 | 6.4 | IC50 | ChEMBL;BindingDB |
| O96013 | PAK4 | Homo sapiens | Human | PF00786 PF00069 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q15118 | PDK1 | Homo sapiens | Human | PF10436 PF02518 | 6.1 | IC50 | ChEMBL;BindingDB |