Molecule Details
| InChIKey | HDMREEQKEGNABS-UHFFFAOYSA-N |
|---|---|
| Compound Name | [1-[1-(3-methoxypropyl)azepan-4-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone |
| Canonical SMILES | COCCCN1CCCC(n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.36 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 6.4 | IC50 | ChEMBL |
| O00459 | PIK3R2 | Homo sapiens | Human | PF16454 PF00620 PF00017 | 6.4 | IC50 | ChEMBL |
| P27986 | PIK3R1 | Homo sapiens | Human | PF16454 PF00620 PF00017 | 6.4 | IC50 | ChEMBL |
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 6.4 | IC50 | ChEMBL;BindingDB |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 6.4 | IC50 | ChEMBL |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 6.4 | IC50 | ChEMBL |
| Q8WYR1 | PIK3R5 | Homo sapiens | Human | PF10486 | 6.4 | IC50 | ChEMBL |
| Q92569 | PIK3R3 | Homo sapiens | Human | PF16454 PF00017 | 6.4 | IC50 | ChEMBL |