Molecule Details
| InChIKey | ILFYWHUZKNCDEU-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-({12-Ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaen-5-yl}carbonyloxy)pentyl 12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,11,13-pentaene-5-carboxylate |
| Canonical SMILES | C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCCCCCOC(=O)c3ncn4c3CN(C)C(=O)c3cc(C#C)ccc3-4)ncn1-2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.05 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 8.3 | Ki | ChEMBL |
| Q16445 | GABRA6 | Homo sapiens | Human | PF02931 PF02932 | 7.3 | Ki | ChEMBL |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 7.0 | Ki | ChEMBL;BindingDB |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 7.0 | Ki | ChEMBL |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 6.6 | Ki | ChEMBL |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | Ki | ChEMBL |