Molecule Details
| InChIKey | KXXIBIBXJMYWNL-ILBGXUMGSA-N |
|---|---|
| Compound Name | 8-[[(3r,4r)-3-[[1,1-Bis(Oxidanylidene)thian-4-Yl]methoxy]piperidin-4-Yl]amino]-3-Methyl-5-(5-Methylpyridin-3-Yl)-1h-Quinolin-2-One |
| Canonical SMILES | Cc1cncc(-c2ccc(N[C@@H]3CCNC[C@H]3OCC3CCS(=O)(=O)CC3)c3[nH]c(=O)c(C)cc23)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.54 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q6PL18 | ATAD2 | Homo sapiens | Human | PF00004 PF17862 PF00439 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q9ULI0 | ATAD2B | Homo sapiens | Human | PF00004 PF17862 PF00439 | 6.8 | Kd | ChEMBL;BindingDB |
| P25440 | BRD2 | Homo sapiens | Human | PF17035 PF00439 | 6.2 | Kd | ChEMBL;BindingDB |
| Q15059 | BRD3 | Homo sapiens | Human | PF17035 PF00439 | 6.0 | Kd | ChEMBL;BindingDB |