Molecule Details
| InChIKey | ABEDQOQTISCLFO-QHCPKHFHSA-N |
|---|---|
| Compound Name | (S)-7-(Biphenyl-3-ylamino)-7-oxo-6-(pyridine-3-carbonylamino)heptylboronic acid |
| Canonical SMILES | O=C(N[C@@H](CCCCCB(O)O)C(=O)Nc1cccc(-c2ccccc2)c1)c1cccnc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.39 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 6.5 | pIC50 | TTD_MultiTarget |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 6.3 | pIC50 | TTD_MultiTarget |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 6.3 | pIC50 | TTD_MultiTarget |