Molecule Details
| InChIKey | JUIHREVFVXLZPR-UHFFFAOYSA-N |
|---|---|
| Compound Name | Hdac/jak/brd4-IN-1 |
| Canonical SMILES | Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(C(=O)NO)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.26 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.7 | IC50 | ChEMBL |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.2 | IC50 | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 8.0 | IC50 | ChEMBL |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 7.3 | IC50 | ChEMBL |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.0 | IC50 | ChEMBL |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.0 | IC50 | ChEMBL |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 6.9 | IC50 | ChEMBL |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.8 | IC50 | ChEMBL |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.6 | IC50 | ChEMBL |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 6.0 | IC50 | ChEMBL |