Molecule Details
| InChIKey | HEMQTRCOHWZDFV-ZRBKABKMSA-N |
|---|---|
| Compound Name | (2S)-2-[[(2S,3S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-6-(tetradecanethioylamino)hexanamide |
| Canonical SMILES | CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.98 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q8IXJ6 | SIRT2 | Homo sapiens | Human | PF02146 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q9NTG7 | SIRT3 | Homo sapiens | Human | PF02146 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q96EB6 | SIRT1 | Homo sapiens | Human | PF02146 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q8N6T7 | SIRT6 | Homo sapiens | Human | PF02146 | 6.6 | IC50 | ChEMBL;BindingDB |