Molecule Details
| InChIKey | HTUBKQUPEREOGA-UHFFFAOYSA-N |
|---|---|
| Compound Name | Pd 168393 |
| Canonical SMILES | C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.94 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07662 |
|---|---|
| Drug Name | PD-168393 |
| CAS Number | 194423-15-9 |
| Groups | experimental |
| ATC Codes | nan |
| Description | PD-168393 is an epidermal growth factor receptor inhibitor. |
Categories: Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 4567 ChEBI: 131504 CHEMBL285063 ChemSpider: 4546 PDB: DJK PubChem:4708 PubChem:99444133 ZINC: ZINC000001488208
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 10.1 | pIC50 | TTD_MultiTarget |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 8.6 | IC50 | ChEMBL;BindingDB |
| Q15303 | ERBB4 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 7.9 | IC50 | ChEMBL;BindingDB |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.4 | IC50 | ChEMBL |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.1 | IC50 | ChEMBL |
| P51813 | BMX | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 | 6.5 | IC50 | ChEMBL;BindingDB |