Molecule Details
| InChIKey | VNSOQQZNVNIEMP-GHTRYYNOSA-N |
|---|---|
| Compound Name | methyl (1S,15S,18R,19S,20S)-18-hydroxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-triene-19-carboxylate |
| Canonical SMILES | COC(=O)[C@H]1[C@H]2C[C@H]3c4cc5c(cc4CCN3C[C@H]2CC[C@H]1O)OCO5 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.02 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 7.9 | Kd | ChEMBL |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 7.9 | Kd | ChEMBL |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 7.9 | Kd | ChEMBL |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 6.2 | Kd | ChEMBL |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.2 | Kd | ChEMBL |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 6.2 | Kd | ChEMBL |