Molecule Details
| InChIKey | QHPKKGUGRGRSGA-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-((2-((3-Hydroxyphenyl)amino)pyrimidin-4-yl)amino)benzamide |
| Canonical SMILES | NC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.68 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07268 |
|---|---|
| Drug Name | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 15978 ChEBI: 40332 CHEMBL242237 ChemSpider: 17218356 PDB: 859 PubChem:16058637 PubChem:99443739 ZINC: ZINC000014960224
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.1 | pIC50 | TTD_MultiTarget |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 8.1 | IC50 | ChEMBL;BindingDB |
| P19784 | CSNK2A2 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL |
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 6.1 | IC50 | ChEMBL |
| P67870 | CSNK2B | Homo sapiens | Human | PF01214 | 6.1 | IC50 | ChEMBL |
| P68400 | CSNK2A1 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL |
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P45983 | MAPK8 | Mitogen-activated protein kinase 8 | binder | targets |