Molecule Details
| InChIKey | VDWUFEKTWXEZTN-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[5-[(2,3-difluorophenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide |
| Canonical SMILES | CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(Cc3cccc(F)c3F)C4(C)C)cc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.77 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 7.9 | IC50 | ChEMBL;BindingDB |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 7.6 | IC50 | ChEMBL;BindingDB |