Molecule Details
| InChIKey | RAJKNXSUPLWLOY-KRWDZBQOSA-N |
|---|---|
| Compound Name | 24-[(1S)-1-cyclopropylethyl]-3,16-dimethyl-20,20-dioxo-20lambda6,30-dithia-4,6,13,16,19,24,29-heptazapentacyclo[19.6.1.12,5.17,11.022,26]triaconta-1(27),2,4,7,9,11(29),21(28),22(26)-octaene-12,23-dione |
| Canonical SMILES | Cc1nc2sc1-c1cc3c(c(c1)S(=O)(=O)NCCN(C)CCNC(=O)c1cccc(n1)N2)C(=O)N([C@@H](C)C1CC1)C3 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.37 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 8.9 | IC50 | ChEMBL;BindingDB |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 8.8 | IC50 | ChEMBL;BindingDB |
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.4 | IC50 | ChEMBL;BindingDB |