Molecule Details
| InChIKey | VVWOQMJGNBQWHG-YPJRHXLCSA-N |
|---|---|
| Compound Name | (2S,3S)-N-hydroxy-5-(N-methylisobutyramido)-2-(4-phenyl-1,2,3,6-tetrahydropyridine-1-carbonyl)piperidine-3-carboxamide |
| Canonical SMILES | CC(C)C(=O)N(C)C1CN[C@H](C(=O)N2CC=C(c3ccccc3)CC2)[C@@H](C(=O)NO)C1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.85 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 8.0 | pIC50 | TTD_MultiTarget |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 8.0 | pIC50 | TTD_MultiTarget |
| O14672 | ADAM10 | Homo sapiens | Human | PF21299 PF00200 PF13574 | 7.6 | IC50 | ChEMBL;BindingDB |