Molecule Details
| InChIKey | CGGSYGIUDPYWMV-VMXMFDLUSA-N |
|---|---|
| Compound Name | 2-((3S,6S,9S,13S)-9-(3-guanidinopropyl)-6-(6-(hydroxyamino)-6-oxohexyl)-13-(4-hydroxybenzyl)-2,5,8,11-tetraoxo-1,4,7,10-tetraazacyclotridecan-3-yl)acetic acid |
| Canonical SMILES | N=C(N)NCCC[C@@H]1NC(=O)C[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCCC(=O)NO)NC1=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.93 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 7.4 | IC50 | ChEMBL |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 6.9 | pIC50 | TTD_MultiTarget |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 6.9 | pIC50 | TTD_MultiTarget |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 6.8 | IC50 | ChEMBL |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.6 | IC50 | ChEMBL |