Molecule Details
| InChIKey | WYWHKKSPHMUBEB-UHFFFAOYSA-N |
|---|---|
| Canonical SMILES | Nc1nc2[nH]cnc2c(=S)[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.26 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00352 |
|---|---|
| Drug Name | Tioguanine |
| CAS Number | 154-42-7 |
| Groups | approved investigational |
| ATC Codes | L01BB03 |
| Description | An antineoplastic compound which also has antimetabolite action. The drug is used in the therapy of acute leukemia. |
Categories: Antimetabolites Antineoplastic Agents Antineoplastic and Immunomodulating Agents Heterocyclic Compounds, Fused-Ring Immunosuppressive Agents Myelosuppressive Agents Narrow Therapeutic Index Drugs Noxae Purine Analogues Purines Thiopurine Analogs Toxic Actions
Cross-references: BindingDB: 50200099 ChEBI: 9555 CHEMBL727 ChemSpider: 2005804 Drugs Product Database (DPD): 9449 C07648 D08603 PDB: DX4 PharmGKB: PA451663 PubChem:2723601 PubChem:46508170 RxCUI: 10485 Therapeutic Targets Database: DAP000194 Wikipedia: Tioguanine ZINC: ZINC000006382803
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P23219 | PTGS1 | Homo sapiens | Human | PF03098 | 6.2 | IC50 | ChEMBL |
| 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 | 6.3 | IC50 | ChEMBL |