Molecule Details
| InChIKey | VFIZBHJTOHUOEK-UHFFFAOYSA-N |
|---|---|
| Compound Name | S-Ethylisothiourea |
| Canonical SMILES | CCSC(=N)N |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.25 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02234 |
|---|---|
| Drug Name | S-Ethylisothiourea |
| CAS Number | 2986-20-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | S-Ethylisothiourea is a nitric oxide synthase inhibitor. |
Categories: Amides Cardiovascular Agents Central Nervous System Agents Central Nervous System Depressants Enzyme Inhibitors Hypnotics and Sedatives Nitric Oxide Synthase, antagonists & inhibitors Sulfur Compounds Thiourea Vasoconstrictor Agents
Cross-references: BindingDB: 50055281 CHEMBL321691 ChemSpider: 4955 PDB: ITU PubChem:5139 PubChem:46508006 ZINC: ZINC000003806245
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P29475 | NOS1 | Homo sapiens | Human | PF00667 PF00258 PF00175 PF02898 PF00595 | 7.5 | Ki | ChEMBL;BindingDB |
| P29474 | NOS3 | Homo sapiens | Human | PF00667 PF00258 PF00175 PF02898 | 7.4 | Ki | ChEMBL |
| P35228 | NOS2 | Homo sapiens | Human | PF00667 PF00258 PF00175 PF02898 | 6.8 | IC50 | ChEMBL;BindingDB |