Molecule Details
| InChIKey | MGKLYPORYDLRLO-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-(2-(3-(Dimethylamino)a-zetidin-1-yl)-5-(3''-methyl-2''-oxo-2'',3''-dihydrospiro[cyclo-butane-1,1''-pyrrolo[2,3-c]quinolin]-8''-yl)pyridin-3-yl)methanesulfona-mide hydrochloride |
| Canonical SMILES | CN1C(=O)C2(CCC2)c2c1cnc1ccc(-c3cnc(N4CC(N(C)C)C4)c(NS(C)(=O)=O)c3)cc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.78 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 9.9 | IC50 | BindingDB |
| P78527 | PRKDC | Homo sapiens | Human | PF20500 PF20502 PF08163 PF19704 PF02259 PF02260 PF00454 | 9.0 | IC50 | BindingDB |
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 8.5 | IC50 | BindingDB |
| P42345 | MTOR | Homo sapiens | Human | PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 | 7.7 | IC50 | BindingDB |