Molecule Details
| InChIKey | XQQZNYFJATXWON-UHFFFAOYSA-N |
|---|---|
| Compound Name | [3-(Aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxy-phenyl]methanamine |
| Canonical SMILES | COc1c(CN)cc(CN)cc1OCCCN1Cc2ccccc2C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.84 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y657 | SPIN1 | Homo sapiens | Human | PF02513 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q56A73 | SPIN4 | Homo sapiens | Human | PF02513 | 6.8 | Kd | ChEMBL;BindingDB |
| Q5JUX0 | SPIN3 | Homo sapiens | Human | PF02513 | 6.8 | Kd | ChEMBL;BindingDB |
| Q9BPZ2 | SPIN2B | Homo sapiens | Human | PF02513 | 6.8 | Kd | ChEMBL;BindingDB |