Molecule Details
| InChIKey | RLNCISDDCDFAHS-UHFFFAOYSA-N |
|---|---|
| Compound Name | Thiophene derivative, 3i |
| Canonical SMILES | CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(C(=O)C(F)(F)F)s1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.63 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 7.0 | IC50 | ChEMBL;BindingDB |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 6.6 | pIC50 | TTD_MultiTarget |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 6.2 | pIC50 | TTD_MultiTarget |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 6.2 | IC50 | ChEMBL;BindingDB |