Molecule Details
| InChIKey | ZHOSAEFOHKXJDJ-DEOSSOPVSA-N |
|---|---|
| Compound Name | 3-[4-chloro-2-hydroxy-3-(4-methylpiperazine-1-sulfonyl)phenylamino]-4-{[(R)-(5-methylfuran-2-yl)-(3-methyloxetan-3-yl)methyl]amino}cyclobut-3-ene-1,2-dione |
| Canonical SMILES | Cc1ccc([C@H](Nc2c(Nc3ccc(Cl)c(S(=O)(=O)N4CCN(C)CC4)c3O)c(=O)c2=O)C2(C)COC2)o1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.11 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P51684 | CCR6 | Homo sapiens | Human | PF00001 | 8.7 | IC50 | ChEMBL;BindingDB |
| P25025 | CXCR2 | Homo sapiens | Human | PF00001 | 7.5 | IC50 | ChEMBL;BindingDB |
| P25024 | CXCR1 | Homo sapiens | Human | PF00001 | 6.9 | IC50 | ChEMBL;BindingDB |
| P51679 | CCR4 | Homo sapiens | Human | PF00001 | 6.3 | IC50 | ChEMBL;BindingDB |
| P49682 | CXCR3 | Homo sapiens | Human | PF00001 | 6.0 | IC50 | ChEMBL;BindingDB |