Molecule Details
| InChIKey | RDSAUPRYZCQORM-BJTUFNSYSA-N |
|---|---|
| Compound Name | (4-(3,4-difluorophenyl)piperazin-1-yl)((4S,4aS,8aR)-2-((S)-3-(6-methoxypyridin-3-yl)-2-methylpropyl)decahydroisoquinolin-4-yl)methanone fumarate |
| Canonical SMILES | COc1ccc(C[C@H](C)CN2C[C@@H]3CCCC[C@@H]3[C@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.73 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P32745 | SSTR3 | Homo sapiens | Human | PF00001 | 8.2 | Kd | ChEMBL |
| P31391 | SSTR4 | Homo sapiens | Human | PF00001 | 6.8 | Kd | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.4 | Kd | ChEMBL |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.2 | Kd | ChEMBL |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 6.1 | Kd | ChEMBL |