Molecule Details
| InChIKey | BKVJIBAADPVALB-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]benzonitrile |
| Canonical SMILES | N#Cc1cccc(-c2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.81 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 8.1 | Ki | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 8.0 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.0 | Ki | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.7 | Ki | ChEMBL;BindingDB |
| P9WI81 | pknB | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF03793 PF00069 | 7.4 | Ki | ChEMBL;BindingDB |