Molecule Details
| InChIKey | NAPOLFVZKFHOBG-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[4-[(7-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]-3-methylbutanamide |
| Canonical SMILES | COc1ccc2c(c1)nc(NCCCCNC(=O)CC(C)C)c1nnc(C)n12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.58 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q15059 | BRD3 | Homo sapiens | Human | PF17035 PF00439 | 7.7 | IC50 | ChEMBL |
| P25440 | BRD2 | Homo sapiens | Human | PF17035 PF00439 | 7.5 | IC50 | ChEMBL |
| Q58F21 | BRDT | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.4 | IC50 | ChEMBL |