Molecule Details
| InChIKey | IRPDBEFADZQZBZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 7-[4-[[5-chloro-4-(4-methoxyanilino)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-hydroxyheptanamide |
| Canonical SMILES | COc1ccc(Nc2nc(Nc3cnn(CCCCCCC(=O)NO)c3)ncc2Cl)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.48 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (12)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 8.5 | IC50 | ChEMBL |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 8.5 | IC50 | ChEMBL |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q8WUI4 | HDAC7 | Homo sapiens | Human | PF00850 | 8.5 | IC50 | ChEMBL |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 8.5 | IC50 | ChEMBL |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 8.5 | IC50 | ChEMBL |
| Q96DB2 | HDAC11 | Homo sapiens | Human | PF00850 | 8.5 | IC50 | ChEMBL |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 8.5 | IC50 | ChEMBL |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 8.5 | IC50 | ChEMBL |
| Q9UKV0 | HDAC9 | Homo sapiens | Human | PF12203 PF00850 | 8.5 | IC50 | ChEMBL |
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 8.5 | IC50 | ChEMBL |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.0 | IC50 | ChEMBL;BindingDB |