Molecule Details
| InChIKey | QKIWQBLNTSQOLY-UHFFFAOYSA-N |
|---|---|
| Compound Name | 7-(1,1-Dimethylethyl)-6-((1-ethyl-1H-1,2,4-triazol-5-yl)methoxy)-3-(2-fluorophenyl)-1,2,4-triazolo(4,3-b)pyridazine |
| Canonical SMILES | CCn1ncnc1COc1nn2c(-c3ccccc3F)nnc2cc1C(C)(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.59 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12238 |
|---|---|
| Drug Name | MK-0777 |
| CAS Number | 252977-51-8 |
| Groups | investigational |
| ATC Codes | nan |
| Description | MK-0777 has been used in trials studying the treatment of Schizophrenia, Anxiety Disorder, and Generalized Anxiety Disorder. |
Cross-references: BindingDB: 50176771 CHEMBL200177 ChemSpider: 8084336 PubChem:9908684 PubChem:347828517 Wikipedia: TPA-023 ZINC: ZINC000000602381
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 9.7 | Ki | ChEMBL;BindingDB |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 9.6 | Ki | ChEMBL;BindingDB |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 9.6 | Ki | ChEMBL;BindingDB |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 9.6 | Ki | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 9.6 | Ki | ChEMBL |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 9.5 | Ki | ChEMBL;BindingDB |