Molecule Details
| InChIKey | XJJYJNMNYDNXNO-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one |
| Canonical SMILES | O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 23 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.49 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07728 |
|---|---|
| Drug Name | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 30192 CHEMBL226471 ChemSpider: 10164613 PDB: F10 PubChem:11992146 PubChem:99444199 ZINC: ZINC000016052794
Target Activities (23)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 8.0 | Ki | ChEMBL |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 7.6 | Ki | ChEMBL |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 6.8 | Ki | ChEMBL |
| P78368 | CSNK1G2 | Homo sapiens | Human | PF12605 PF00069 | 6.8 | Ki | ChEMBL |
| O43781 | DYRK3 | Homo sapiens | Human | PF00069 | 6.7 | Ki | ChEMBL |
| Q8IW41 | MAPKAPK5 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q8N4C8 | MINK1 | Homo sapiens | Human | PF00780 PF00069 | 6.6 | Ki | ChEMBL |
| Q9BZL6 | PRKD2 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.6 | Ki | ChEMBL |
| P49137 | MAPKAPK2 | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL;BindingDB |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.5 | Ki | ChEMBL |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.3 | IC50 | ChEMBL;BindingDB |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 6.2 | Ki | ChEMBL |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.2 | Ki | ChEMBL |
| Q9HCP0 | CSNK1G1 | Homo sapiens | Human | PF12605 PF00069 | 6.2 | Ki | ChEMBL |
| Q9Y4K4 | MAP4K5 | Homo sapiens | Human | PF00780 PF00069 | 6.2 | Ki | ChEMBL |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 6.1 | Ki | ChEMBL |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| P23443 | RPS6KB1 | Homo sapiens | Human | PF00069 PF00433 | 6.0 | Ki | ChEMBL |
| P48730 | CSNK1D | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| Q12851 | MAP4K2 | Homo sapiens | Human | PF00780 PF00069 | 6.0 | Ki | ChEMBL |