Molecule Details
| InChIKey | XTTJVGFNQFHWPI-JPBLIHLHSA-N |
|---|---|
| Compound Name | (4aR,6S,8aR)-4a,8a-dimethyl-6-(2H-tetrazol-5-ylsulfanylmethyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline-3-carboxylic acid |
| Canonical SMILES | C[C@@]12CC[C@H](CSc3nn[nH]n3)C[C@]1(C)CC(C(=O)O)NC2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.24 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P42261 | GRIA1 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.2 | IC50 | ChEMBL |
| P42262 | GRIA2 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.2 | IC50 | ChEMBL |
| P42263 | GRIA3 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.2 | IC50 | ChEMBL |
| P48058 | GRIA4 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.2 | IC50 | ChEMBL |