Molecule Details
| InChIKey | AREYWCZYVPSHGS-NVMNQCDNSA-N |
|---|---|
| Compound Name | S-49076 |
| Canonical SMILES | O=C1Nc2ccc(CN3C(=O)CSC3=O)cc2/C1=C/c1cc(CN2CCOCC2)c[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.01 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16821 |
|---|---|
| Drug Name | S-49076 |
| CAS Number | 1265965-22-7 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Antineoplastic Agents Heterocyclic Compounds, Fused-Ring Sulfur Compounds Thiazoles
Cross-references: BindingDB: 50172080 CHEMBL3808948 ChemSpider: 58796433 ZINC: ZINC000113422876
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 9.0 | IC50 | ChEMBL |
| P22607 | FGFR3 | Homo sapiens | Human | PF21165 PF07679 PF13927 PF07714 | 7.8 | IC50 | ChEMBL |
| P21802 | FGFR2 | Homo sapiens | Human | PF07679 PF13927 PF07714 | 7.8 | IC50 | ChEMBL |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 7.8 | IC50 | ChEMBL |
| P30530 | AXL | Homo sapiens | Human | PF00041 PF13927 PF07714 | 7.7 | IC50 | ChEMBL;BindingDB |