Molecule Details
| InChIKey | ZORLJXWXFABTPZ-CTNGQTDRSA-N |
|---|---|
| Compound Name | 4-(2-(Methoxymethyl)-1-((R)-1-phenylethyl)-8-((S)-pyrrolidin-3-ylmethoxy)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole |
| Canonical SMILES | COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc3c2n1[C@H](C)c1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.69 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q15059 | BRD3 | Homo sapiens | Human | PF17035 PF00439 | 7.4 | IC50 | ChEMBL;BindingDB |
| P13500 | CCL2 | Homo sapiens | Human | PF00048 | 7.1 | IC50 | ChEMBL |
| P25440 | BRD2 | Homo sapiens | Human | PF17035 PF00439 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q58F21 | BRDT | Homo sapiens | Human | PF17035 PF17105 PF00439 | 6.8 | IC50 | ChEMBL;BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P02708 | CHRNA1 | Homo sapiens | Human | PF02931 PF02932 | 6.0 | IC50 | ChEMBL |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL |