Molecule Details
| InChIKey | KUAZQDVKQLNFPE-UHFFFAOYSA-N |
|---|---|
| Compound Name | Thiram |
| Canonical SMILES | CN(C)C(=S)SSC(=S)N(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.76 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB13245 |
|---|---|
| Drug Name | Thiram |
| CAS Number | 137-26-8 |
| Groups | approved |
| ATC Codes | P03AA05 |
| Description | Thiram may be used in dermatology as a scabicide [T436]. Thiram is mainly used as a fungicide for plants and treatment for seeds, however, this use is being investigated for safety in many markets including Canada [L5425]. |
Categories: Acids, Acyclic Agrochemicals Antiparasitic Products, Insecticides and Repellents Carbamates Cell-mediated Immunity Compounds used in a research, industrial, or household setting Dimethyldithiocarbamate Ectoparasiticides, Incl. Scabicides Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents Fungicides, Industrial Increased Histamine Release Mutagens Noxae Pesticides Standardized Chemical Allergen Sulfur Compounds Sulfur Containing Products Thiocarbamates Toxic Actions
Cross-references: BindingDB: 43362 ChEBI: 9495 CHEMBL120563 ChemSpider: 5256 C11160 D06114 RxCUI: 10517 Wikipedia: Thiram ZINC: ZINC000001532176
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00352 | ALDH1A1 | Homo sapiens | Human | PF00171 | 7.7 | IC50 | ChEMBL;BindingDB |
| P58215 | LOXL3 | Homo sapiens | Human | PF01186 PF00530 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q9Y4K0 | LOXL2 | Homo sapiens | Human | PF01186 PF00530 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q96JB6 | LOXL4 | Homo sapiens | Human | PF01186 PF00530 | 6.7 | IC50 | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.7 | IC50 | ChEMBL;BindingDB |
| P05091 | ALDH2 | Homo sapiens | Human | PF00171 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q96KQ7 | EHMT2 | Homo sapiens | Human | PF00023 PF12796 PF21533 PF05033 PF00856 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q99685 | MGLL | Homo sapiens | Human | PF12146 | 6.0 | IC50 | ChEMBL;BindingDB |
| P0DTD1 | rep | Severe acute respiratory syndrome coronavirus 2 | Pathogen | PF13087 PF16251 PF11501 PF12379 PF12124 PF11633 PF06471 PF06460 PF09401 PF20631 PF20633 PF20632 PF19215 PF19216 PF19219 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF06478 PF01661 PF05409 PF00680 | 7.3 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O60674 | JAK2 | Tyrosine-protein kinase JAK2 | inhibitor | targets |