Molecule Details
| InChIKey | QVJVMNUTCGTBCH-ZDUSSCGKSA-N |
|---|---|
| Compound Name | Ethyl 4-({(2s)-2-Hydroxy-3-[(1-Methylethyl)amino]propyl}oxy)-3-Methyl-1-Benzofuran-2-Carboxylate |
| Canonical SMILES | CCOC(=O)c1oc2cccc(OC[C@@H](O)CNC(C)C)c2c1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.79 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07550 | ADRB2 | Homo sapiens | Human | PF00001 | 8.1 | Ki | ChEMBL;BindingDB |
| P08588 | ADRB1 | Homo sapiens | Human | PF00001 | 7.0 | IC50 | BindingDB |
| P30419 | NMT1 | Homo sapiens | Human | PF01233 PF02799 | 6.0 | IC50 | BindingDB |
| P9WQA3 | fba | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF01116 | 6.1 | IC50 | BindingDB |