Molecule Details
| InChIKey | LJLJARSDBHJRGG-UHFFFAOYSA-N |
|---|---|
| Compound Name | 15-Methyl-4-(methylsulfonylmethyl)-8-pyridin-2-yl-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaen-14-one |
| Canonical SMILES | Cn1cc2c3c(c[nH]c3c1=O)CN(c1ccccn1)c1ccc(CS(C)(=O)=O)cc1-2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.84 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25440 | BRD2 | Homo sapiens | Human | PF17035 PF00439 | 9.3 | Ki | ChEMBL;BindingDB |
| Q58F21 | BRDT | Homo sapiens | Human | PF17035 PF17105 PF00439 | 9.2 | Ki | ChEMBL;BindingDB |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 8.9 | Ki | ChEMBL;BindingDB |
| Q15059 | BRD3 | Homo sapiens | Human | PF17035 PF00439 | 8.0 | Ki | ChEMBL;BindingDB |