Molecule Details
| InChIKey | NGWYCOVARFKQDW-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-Methyl-6-oxo-8-trimethylsilanylethynyl-5,6-dihydro-4H-2,5,10b-triaza-benzo[e]azulene-3-carboxylic acid tert-butyl ester |
| Canonical SMILES | CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(C#C[Si](C)(C)C)cc2C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.17 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 8.6 | Ki | ChEMBL;BindingDB |
| P48169 | GABRA4 | Homo sapiens | Human | PF02931 PF02932 | 8.1 | Ki | ChEMBL;BindingDB |
| Q16445 | GABRA6 | Homo sapiens | Human | PF02931 PF02932 | 7.2 | Ki | ChEMBL;BindingDB |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 6.8 | Ki | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 6.8 | Ki | ChEMBL |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 6.8 | Ki | ChEMBL;BindingDB |
| P47870 | GABRB2 | Homo sapiens | Human | PF02931 PF02932 | 6.8 | Ki | ChEMBL |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | Ki | ChEMBL;BindingDB |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 6.6 | Ki | ChEMBL;BindingDB |