Molecule Details
| InChIKey | PTTQXDBPTFOCMT-UHFFFAOYSA-N |
|---|---|
| Compound Name | Darigabat |
| Canonical SMILES | CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4OC)c3)cnnc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.69 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB18966 |
|---|---|
| Drug Name | Darigabat |
| CAS Number | 1614245-70-3 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Darigabat is under investigation in clinical trial NCT05941442 (A Study to Evaluate Efficacy, Safety, and Tolerability of Darigabat in Participants With Panic Disorder). |
Categories: GABA Agents GABA Modulators Neurotransmitter Agents
Cross-references: BindingDB: 144227 CHEMBL3647536 ChemSpider: 58950370 Wikipedia: Darigabat ZINC: ZINC000150064758
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 9.7 | Ki | ChEMBL;BindingDB |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 9.0 | Ki | ChEMBL |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 9.0 | Ki | ChEMBL |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 9.0 | Ki | ChEMBL;BindingDB |
| P47870 | GABRB2 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | Ki | ChEMBL |
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 7.7 | Ki | ChEMBL;BindingDB |