Molecule Details
| InChIKey | VWSXKWXISJLOQM-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-hydroxy-N,N-dimethyl-3-[[2-[[(5-methylfuran-2-yl)-(2-methyloxolan-2-yl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide |
| Canonical SMILES | Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C2(C)CCCO2)o1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.62 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49682 | CXCR3 | Homo sapiens | Human | PF00001 | 8.9 | IC50 | ChEMBL |
| O00574 | CXCR6 | Homo sapiens | Human | PF00001 | 8.7 | IC50 | ChEMBL |
| P25106 | ACKR3 | Homo sapiens | Human | PF00001 | 8.1 | IC50 | ChEMBL |
| P25025 | CXCR2 | Homo sapiens | Human | PF00001 | 7.0 | IC50 | ChEMBL;BindingDB |
| P25024 | CXCR1 | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL;BindingDB |
| P61073 | CXCR4 | Homo sapiens | Human | PF00001 PF12109 | 6.4 | IC50 | ChEMBL |