Molecule Details
| InChIKey | ZUODKONSNNHSAJ-AMLBMYBGSA-N |
|---|---|
| Canonical SMILES | CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)N5CCC(CCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)CC4)CC3)c12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.21 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y616 | IRAK3 | Homo sapiens | Human | PF00531 PF00069 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q9BWU1 | CDK19 | Homo sapiens | Human | PF00069 | 7.8 | IC50 | ChEMBL;BindingDB |
| P24863 | CCNC | Homo sapiens | Human | PF16899 PF00134 | 7.4 | IC50 | ChEMBL;BindingDB |
| P49336 | CDK8 | Homo sapiens | Human | PF00069 | 7.4 | IC50 | ChEMBL |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q8TF76 | HASPIN | Homo sapiens | Human | PF12330 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q96SW2 | CRBN | Homo sapiens | Human | PF02190 PF03226 | 6.3 | IC50 | ChEMBL;BindingDB |