Molecule Details
| InChIKey | GMKBCIVCVYKVBE-SFHVURJKSA-N |
|---|---|
| Compound Name | 25-[(1S)-1-cyclopropylethyl]-3,17-dimethyl-21,21-dioxo-21lambda6,31-dithia-4,6,13,17,20,25,30-heptazapentacyclo[20.6.1.12,5.17,11.023,27]hentriaconta-1(28),2,4,7,9,11(30),22(29),23(27)-octaene-12,24-dione |
| Canonical SMILES | Cc1nc2sc1-c1cc3c(c(c1)S(=O)(=O)NCCN(C)CCCNC(=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 | 8.42 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 9.1 | IC50 | ChEMBL;BindingDB |
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 8.8 | IC50 | ChEMBL;BindingDB |
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.3 | IC50 | ChEMBL;BindingDB |