Molecule Details
| InChIKey | BNDYIYYKEIXHNK-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(3-Hydroxyanilino)-6,7-Dimethoxyquinazoline |
| Canonical SMILES | COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.2 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB03365 |
|---|---|
| Drug Name | 4-[3-Hydroxyanilino]-6,7-Dimethoxyquinazoline |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 4622 CHEMBL127907 ChemSpider: 5485 PDB: DTQ PubChem:5687 PubChem:46508544 ZINC: ZINC000003828650
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P27986 | PIK3R1 | Homo sapiens | Human | PF16454 PF00620 PF00017 | 8.7 | IC50 | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 7.4 | IC50 | ChEMBL;BindingDB |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.3 | pIC50 | TTD_MultiTarget |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.3 | IC50 | ChEMBL;BindingDB |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q5TCY1 | TTBK1 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| P33176 | KIF5B | Homo sapiens | Human | PF00225 | 6.4 | IC50 | ChEMBL |