Molecule Details
| InChIKey | JYCUVOXSZBECAY-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine |
| Canonical SMILES | Cc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.06 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08454 |
|---|---|
| Drug Name | N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50162083 ChEBI: 78544 CHEMBL359482 ChemSpider: 4925398 PDB: QPP PubChem:6419766 PubChem:99444925 ZINC: ZINC000016052235
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 7.7 | Ki | ChEMBL;BindingDB |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 7.6 | Ki | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 7.2 | Ki | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.1 | Ki | ChEMBL;BindingDB |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 6.7 | IC50 | BindingDB |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL;BindingDB |