Molecule Details
| InChIKey | NYBQQHJGLBCUBL-IINYFYTJSA-N |
|---|---|
| Compound Name | (3aS,9bS)-7,9-dimethoxy-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole |
| Canonical SMILES | COc1cc(OC)c2c(c1)OC[C@@]1(C)NCC[C@@H]21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.44 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 7.4 | Ki | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL;BindingDB |
| P07550 | ADRB2 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |
| P08588 | ADRB1 | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL;BindingDB |