Molecule Details
| InChIKey | NPBFSLFGBCAWAF-UHFFFAOYSA-N |
|---|---|
| Compound Name | 6-Ethynl-9H-beta-carboline-3-carboxylic acid t-butyl ester |
| Canonical SMILES | C#Cc1ccc2[nH]c3cnc(C(=O)OC(C)(C)C)cc3c2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.27 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 9.0 | Ki | ChEMBL;BindingDB |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 7.0 | Ki | ChEMBL;BindingDB |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 7.0 | Ki | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 7.0 | Ki | ChEMBL |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 7.0 | Ki | ChEMBL;BindingDB |
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | Ki | ChEMBL;BindingDB |