Molecule Details
| InChIKey | BQXPUDCETZOLFA-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-[4-[(4-Chlorophenyl)-[4-[[(4-chlorophenyl)-[5-(2-oxochromen-4-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]amino]anilino]methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]chromen-2-one |
| Canonical SMILES | O=c1cc(-c2nn(C(Nc3ccc(NC(c4ccc(Cl)cc4)n4nc(-c5cc6ccccc6oc5=O)oc4=S)cc3)c3ccc(Cl)cc3)c(=S)o2)c2ccccc2o1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.16 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43451 | MGAM | Homo sapiens | Human | PF13802 PF01055 PF21365 PF00088 | 7.2 | IC50 | ChEMBL |
| P10253 | GAA | Homo sapiens | Human | PF13802 PF01055 PF21365 PF00088 | 7.2 | IC50 | ChEMBL |
| P14410 | SI | Homo sapiens | Human | PF13802 PF01055 PF21365 PF00088 | 7.2 | IC50 | ChEMBL |
| Q2M2H8 | MGAM2 | Homo sapiens | Human | PF13802 PF01055 PF21365 PF00088 | 7.2 | IC50 | ChEMBL;BindingDB |