Molecule Details
| InChIKey | FECJFYFWBIAIIL-WYLSKWGASA-N |
|---|---|
| Canonical SMILES | CC(C)C(=O)OC[C@@H]1O[C@@H](n2cnc(N)c3c(C(N)=O)c(Br)nc2-3)[C@@H](O)[C@@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.76 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75909 | CCNK | Homo sapiens | Human | PF00134 PF21797 | 7.0 | IC50 | ChEMBL |
| Q9NYV4 | CDK12 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 6.7 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL |