Molecule Details
| InChIKey | YKOJCIKYDZHWDT-UDMPHVCXSA-N |
|---|---|
| Compound Name | (E)-3-[1-[2-(ethylamino)ethyl]-2-[(Z)-hex-3-enyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide |
| Canonical SMILES | CC/C=C\CCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNCC |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.1 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (12)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 8.6 | Ki | ChEMBL;BindingDB |
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 8.5 | Ki | ChEMBL;BindingDB |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 8.4 | pIC50 | TTD_MultiTarget |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 8.4 | Ki | ChEMBL;BindingDB |
| Q9UKV0 | HDAC9 | Homo sapiens | Human | PF12203 PF00850 | 8.2 | Ki | ChEMBL;BindingDB |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 8.1 | pIC50 | TTD_MultiTarget |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 8.1 | pIC50 | TTD_MultiTarget |
| Q96DB2 | HDAC11 | Homo sapiens | Human | PF00850 | 8.1 | Ki | ChEMBL;BindingDB |
| Q8WUI4 | HDAC7 | Homo sapiens | Human | PF00850 | 7.9 | Ki | ChEMBL;BindingDB |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 7.8 | Ki | ChEMBL;BindingDB |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 7.7 | Ki | ChEMBL;BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 7.3 | Ki | ChEMBL;BindingDB |