Molecule Details
| InChIKey | RBTBFTRPCNLSDE-UHFFFAOYSA-N |
|---|---|
| Compound Name | Methylene blue cation |
| Canonical SMILES | CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.6 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08167 |
|---|---|
| Drug Name | Methylthioninium |
| CAS Number | 7060-82-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Oxidation-Reduction Activity Oxidation-Reduction Agent Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome
Cross-references: BindingDB: 50434369 ChEBI: 43830 CHEMBL191083 ChemSpider: 3996 PDB: MBT PubChem:4139 PubChem:99444638 RxCUI: 1546414 ZINC: ZINC000012414057
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P21397 | MAOA | Homo sapiens | Human | PF01593 | 7.2 | IC50 | ChEMBL;BindingDB |
| P22303 | ACHE | Homo sapiens | Human | PF08674 PF00135 | 7.0 | Ki | BindingDB |
| P14598 | NCF1 | Homo sapiens | Human | PF16621 PF08944 PF00787 PF00018 | 6.4 | IC50 | BindingDB |
| P05067 | APP | Homo sapiens | Human | PF10515 PF12924 PF12925 PF02177 PF03494 PF00014 | 6.3 | IC50 | ChEMBL |
| P10636 | MAPT | Homo sapiens | Human | PF00418 | 6.2 | IC50 | BindingDB |