Molecule Details
| InChIKey | SPGSQKKTHWOODB-HJNYFJLDSA-N |
|---|---|
| Compound Name | (1S,2S,5R)-N-hydroxy-5-(2-oxo-2-(piperidin-1-yl)ethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexanecarboxamide |
| Canonical SMILES | O=C(NO)[C@H]1C[C@H](CC(=O)N2CCCCC2)CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.77 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14672 | ADAM10 | Homo sapiens | Human | PF21299 PF00200 PF13574 | 6.8 | IC50 | ChEMBL;BindingDB |
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.8 | pIC50 | TTD_MultiTarget |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 6.8 | pIC50 | TTD_MultiTarget |