Molecule Details
| InChIKey | CMZXXROIVBWQKJ-NSWWAWACSA-N |
|---|---|
| Compound Name | N-[(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-[(N'-methylcarbamimidoyl)amino]propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetrazacycloicos-12-yl]-2-methylpropanamide |
| Canonical SMILES | CC[C@@H]1NC(=O)[C@H](CCCNC(=N)NC)NC(=O)[C@](C)(NC(=O)C(C)C)CCCCCCCCNC(=O)[C@@H](c2ccccc2)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.13 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P61964 | WDR5 | Homo sapiens | Human | PF25175 | 6.1 | IC50 | ChEMBL |
| Q03164 | KMT2A | Homo sapiens | Human | PF05965 PF05964 PF00628 PF00856 PF02008 PF13771 | 6.1 | IC50 | ChEMBL |
| Q15291 | RBBP5 | Homo sapiens | Human | PF00400 | 6.1 | IC50 | ChEMBL |
| Q9C005 | DPY30 | Homo sapiens | Human | PF05186 | 6.1 | IC50 | ChEMBL |
| Q9UBL3 | ASH2L | Homo sapiens | Human | PF21198 PF21257 PF00622 | 6.1 | IC50 | ChEMBL |