Molecule Details
| InChIKey | OWFLADWRSCINST-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-(2-Quinolin-3-ylpyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one |
| Canonical SMILES | O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 30 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.77 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08358 |
|---|---|
| Drug Name | 2-(2-QUINOLIN-3-YLPYRIDIN-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: 30185 CHEMBL226403 ChemSpider: 8564681 PDB: P4O PubChem:10389239 PubChem:99444829 ZINC: ZINC000016052855
Target Activities (30)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 8.4 | Ki | ChEMBL |
| P49137 | MAPKAPK2 | Homo sapiens | Human | PF00069 | 8.1 | IC50 | ChEMBL;BindingDB |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 7.6 | Ki | ChEMBL |
| Q86V86 | PIM3 | Homo sapiens | Human | PF00069 | 7.5 | Ki | ChEMBL |
| Q9BZL6 | PRKD2 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 7.4 | Ki | ChEMBL |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 7.2 | Ki | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 7.2 | Ki | ChEMBL |
| Q9UEE5 | STK17A | Homo sapiens | Human | PF00069 | 7.2 | Ki | ChEMBL |
| O43781 | DYRK3 | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL |
| Q8IW41 | MAPKAPK5 | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL;BindingDB |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 6.8 | Ki | ChEMBL |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 6.8 | Ki | ChEMBL |
| P48730 | CSNK1D | Homo sapiens | Human | PF00069 | 6.7 | Ki | ChEMBL |
| Q16644 | MAPKAPK3 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.6 | Ki | ChEMBL |
| Q9HCP0 | CSNK1G1 | Homo sapiens | Human | PF12605 PF00069 | 6.6 | Ki | ChEMBL |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| P78368 | CSNK1G2 | Homo sapiens | Human | PF12605 PF00069 | 6.5 | Ki | ChEMBL |
| Q9NR20 | DYRK4 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| Q9P1W9 | PIM2 | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| P68400 | CSNK2A1 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| Q13557 | CAMK2D | Homo sapiens | Human | PF08332 PF00069 | 6.1 | Ki | ChEMBL |
| P23443 | RPS6KB1 | Homo sapiens | Human | PF00069 PF00433 | 6.0 | Ki | ChEMBL |
| P48729 | CSNK1A1 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 6.0 | Ki | ChEMBL |
| Q9HBH9 | MKNK2 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |