Molecule Details
| InChIKey | IGIRIPQQEQZJIY-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[3-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine |
| Canonical SMILES | CN1CCN(c2cccc(Nc3nccc(-c4c[nH]c5ncccc45)n3)c2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.98 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 8.6 | Ki | ChEMBL;BindingDB |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 7.1 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL;BindingDB |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 6.8 | Ki | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 6.8 | Ki | ChEMBL;BindingDB |
| P51948 | MNAT1 | Homo sapiens | Human | PF25811 PF06391 PF17121 | 6.8 | Ki | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL;BindingDB |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 6.3 | Ki | ChEMBL |