Molecule Details
| InChIKey | DGPHJNJINCRCKW-UHFFFAOYSA-N |
|---|---|
| Compound Name | N,N,2-trimethyl-3-[[2-[[(5-methylfuran-2-yl)-(thiolan-2-yl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzenesulfonamide |
| Canonical SMILES | Cc1ccc(C(Nc2c(Nc3cccc(S(=O)(=O)N(C)C)c3C)c(=O)c2=O)C2CCCS2)o1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.62 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P51684 | CCR6 | Homo sapiens | Human | PF00001 | 8.8 | IC50 | ChEMBL;BindingDB |
| P25024 | CXCR1 | Homo sapiens | Human | PF00001 | 7.7 | IC50 | ChEMBL;BindingDB |
| P51679 | CCR4 | Homo sapiens | Human | PF00001 | 7.4 | IC50 | ChEMBL;BindingDB |
| P25025 | CXCR2 | Homo sapiens | Human | PF00001 | 7.2 | IC50 | ChEMBL;BindingDB |
| P49682 | CXCR3 | Homo sapiens | Human | PF00001 | 7.0 | IC50 | ChEMBL;BindingDB |