Molecule Details
| InChIKey | CDQFTBVKAAGOCB-UHFFFAOYSA-N |
|---|---|
| Compound Name | ethyl 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate |
| Canonical SMILES | CCOC(=O)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.33 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75530 | EED | Homo sapiens | Human | PF00400 | 8.3 | IC50 | ChEMBL |
| Q09028 | RBBP4 | Homo sapiens | Human | PF12265 PF00400 | 8.3 | IC50 | ChEMBL |
| Q15022 | SUZ12 | Homo sapiens | Human | PF09733 PF23320 | 8.3 | IC50 | ChEMBL |
| Q15910 | EZH2 | Homo sapiens | Human | PF21358 PF11616 PF18118 PF18264 PF00856 | 8.3 | IC50 | ChEMBL;BindingDB |