Molecule Details
| InChIKey | AIKGYQDFIJRQIY-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[3-chloro-4-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-ylmethyl)phenyl]-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamide |
| Canonical SMILES | Cc1ccc(C(=O)Nc2ccc(CN3Cc4cn[nH]c4C3)c(Cl)c2)cc1C#Cc1cnc2cccnn12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.36 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 8.7 | IC50 | ChEMBL;BindingDB |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 8.5 | IC50 | ChEMBL;BindingDB |
| P54753 | EPHB3 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 7.7 | IC50 | ChEMBL;BindingDB |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.6 | IC50 | ChEMBL;BindingDB |
| P29323 | EPHB2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 7.2 | IC50 | ChEMBL;BindingDB |
| P54760 | EPHB4 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q8IVH8 | MAP4K3 | Homo sapiens | Human | PF00780 PF00069 | 6.6 | IC50 | ChEMBL;BindingDB |
| Q16832 | DDR2 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 6.5 | IC50 | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.4 | IC50 | ChEMBL;BindingDB |