Molecule Details
| InChIKey | QYZOGCMHVIGURT-UHFFFAOYSA-N |
|---|---|
| Compound Name | Defosbarasertib |
| Canonical SMILES | CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 26 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.95 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (26)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 9.1 | IC50 | ChEMBL;BindingDB |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 9.0 | pIC50 | TTD_MultiTarget |
| Q13163 | MAP2K5 | Homo sapiens | Human | PF00564 PF00069 | 8.6 | Kd | ChEMBL;BindingDB |
| Q9UQB9 | AURKC | Homo sapiens | Human | PF00069 | 8.4 | Kd | ChEMBL;BindingDB |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 7.8 | Kd | ChEMBL;BindingDB |
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 7.4 | Kd | ChEMBL;BindingDB |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 7.4 | Kd | ChEMBL;BindingDB |
| O15197 | EPHB6 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF07647 | 7.3 | Kd | ChEMBL;BindingDB |
| Q8NE63 | HIPK4 | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.0 | Kd | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.9 | Kd | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.9 | Kd | ChEMBL;BindingDB |
| Q9Y4K4 | MAP4K5 | Homo sapiens | Human | PF00780 PF00069 | 6.8 | Kd | ChEMBL;BindingDB |
| P35590 | TIE1 | Homo sapiens | Human | PF00041 PF00047 PF07714 | 6.5 | Kd | ChEMBL;BindingDB |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.4 | Kd | ChEMBL;BindingDB |
| P30530 | AXL | Homo sapiens | Human | PF00041 PF13927 PF07714 | 6.4 | Kd | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.3 | Kd | ChEMBL;BindingDB |
| Q15303 | ERBB4 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.3 | Kd | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.3 | Kd | ChEMBL;BindingDB |
| Q13882 | PTK6 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.3 | Kd | ChEMBL |
| P51451 | BLK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.2 | Ki | ChEMBL |
| O43318 | MAP3K7 | Homo sapiens | Human | PF07714 | 6.2 | Kd | ChEMBL;BindingDB |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.1 | Kd | ChEMBL;BindingDB |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.0 | Ki | ChEMBL |
| Q9UQ88 | CDK11A | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |