Molecule Details
| InChIKey | GOTKZROZHBWZJH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine |
| Canonical SMILES | CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cnc6[nH]ccc6c5)c4c3)cc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.74 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q16584 | MAP3K11 | Homo sapiens | Human | PF07714 PF14604 | 7.7 | IC50 | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.1 | IC50 | ChEMBL;BindingDB |
| O14920 | IKBKB | Homo sapiens | Human | PF18397 PF12179 PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.5 | IC50 | ChEMBL |
| O15111 | CHUK | Homo sapiens | Human | PF18397 PF12179 PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL |