Molecule Details
| InChIKey | XSSNABKEYXKKMK-UHFFFAOYSA-N |
|---|---|
| Compound Name | S-Isopropyl-Isothiourea |
| Canonical SMILES | CC(C)SC(=N)N |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.71 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04018 |
|---|---|
| Drug Name | S-Isopropyl-Isothiourea |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50271827 CHEMBL483091 ChemSpider: 392993 PDB: IPU PubChem:445319 PubChem:46505190 ZINC: ZINC000003806248
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35228 | NOS2 | Homo sapiens | Human | PF00667 PF00258 PF00175 PF02898 | 8.1 | Ki | ChEMBL |
| P29474 | NOS3 | Homo sapiens | Human | PF00667 PF00258 PF00175 PF02898 | 7.7 | Ki | ChEMBL |
| P29475 | NOS1 | Homo sapiens | Human | PF00667 PF00258 PF00175 PF02898 PF00595 | 7.4 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P29474 | NOS3 | Nitric oxide synthase 3 | inhibitor | targets |