Molecule Details
| InChIKey | LAXNJIWNBHHMDO-UHFFFAOYSA-N |
|---|---|
| Compound Name | S-Ethyl-N-Phenyl-Isothiourea |
| Canonical SMILES | CCSC(=N)Nc1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.46 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB03707 |
|---|---|
| Drug Name | S-Ethyl-N-Phenyl-Isothiourea |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50626253 CHEMBL451666 ChemSpider: 308438 PDB: PTU PubChem:347590 PubChem:46506739 ZINC: ZINC000006001367
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P29475 | NOS1 | Homo sapiens | Human | PF00667 PF00258 PF00175 PF02898 PF00595 | 6.9 | Ki | ChEMBL;BindingDB |
| P29474 | NOS3 | Homo sapiens | Human | PF00667 PF00258 PF00175 PF02898 | 6.4 | Ki | ChEMBL;BindingDB |
| P35228 | NOS2 | Homo sapiens | Human | PF00667 PF00258 PF00175 PF02898 | 6.1 | Ki | ChEMBL;BindingDB |