Molecule Details
| InChIKey | HWBBSTOZNJTCST-ZFHKKGHBSA-N |
|---|---|
| Compound Name | (2S)-2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[[1-(3-cyclopentylpropyl)azetidin-3-yl]methyl]amino]butanoic acid |
| Canonical SMILES | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)CC2CN(CCCC3CCCC3)C2)[C@@H](O)[C@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.59 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P61964 | WDR5 | Homo sapiens | Human | PF25175 | 7.6 | IC50 | ChEMBL |
| Q03164 | KMT2A | Homo sapiens | Human | PF05965 PF05964 PF00628 PF00856 PF02008 PF13771 | 7.6 | IC50 | ChEMBL |
| Q15291 | RBBP5 | Homo sapiens | Human | PF00400 | 7.6 | IC50 | ChEMBL |
| Q9C005 | DPY30 | Homo sapiens | Human | PF05186 | 7.6 | IC50 | ChEMBL |
| Q9UBL3 | ASH2L | Homo sapiens | Human | PF21198 PF21257 PF00622 | 7.6 | IC50 | ChEMBL |