Molecule Details
| InChIKey | RPMBYDYUVKEZJA-UHFFFAOYSA-N |
|---|---|
| Compound Name | Methoctramine free base |
| Canonical SMILES | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.88 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 7.4 | Ki | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL;BindingDB |
| Q05586 | GRIN1 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.9 | IC50 | ChEMBL |
| Q12879 | GRIN2A | Homo sapiens | Human | PF01094 PF00060 PF10613 PF10565 | 6.9 | IC50 | ChEMBL;BindingDB |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL;BindingDB |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |
| P06276 | BCHE | Homo sapiens | Human | PF08674 PF00135 | 6.0 | IC50 | ChEMBL;BindingDB |