Molecule Details
| InChIKey | FIAFUQMPZJWCLV-UHFFFAOYSA-N |
|---|---|
| Compound Name | Suramin |
| Canonical SMILES | Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C)c2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.79 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04786 |
|---|---|
| Drug Name | Suramin |
| CAS Number | 145-63-1 |
| Groups | investigational |
| ATC Codes | P01CX02 |
| Description | A polyanionic compound with an unknown mechanism of action. It is used parenterally in the treatment of African trypanosomiasis and it has been used clinically with diethylcarbamazine to kill the adult Onchocerca. (From AMA Drug Evaluations Annual, 1992, p1643) It has also been shown to have potent ... |
Categories: Agents Against Leishmaniasis and Trypanosomiasis Anti-Infective Agents Antinematodal Agents Antineoplastic Agents Antiparasitic Agents Antiparasitic Products, Insecticides and Repellents Antiprotozoals Arylsulfonates Arylsulfonic Acids Naphthalenes Naphthalenesulfonates Sulfonic Acids Sulfur Acids Sulfur Compounds Trypanocidal Agents
Cross-references: BindingDB: 50336799 ChEBI: 45906 CHEMBL265502 ChemSpider: 5168 Guide to Pharmacology: 1728 IUPHAR: 1728 C07974 PDB: SVR PharmGKB: PA10292 PubChem:5361 PubChem:46507013 RxCUI: 10256 Therapeutic Targets Database: DAP001031 Wikipedia: Suramin
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35625 | TIMP3 | Homo sapiens | Human | PF00965 | 8.7 | Kd | ChEMBL |
| Q16690 | DUSP5 | Homo sapiens | Human | PF00782 PF00581 | 7.6 | Ki | BindingDB |
| Q96G91 | P2RY11 | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL |
| P22413 | ENPP1 | Homo sapiens | Human | PF01223 PF01663 PF01033 | 6.6 | Ki | ChEMBL |
| Q96EB6 | SIRT1 | Homo sapiens | Human | PF02146 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q9UKV8 | AGO2 | Homo sapiens | Human | PF08699 PF16488 PF16487 PF16486 PF02170 PF02171 | 6.2 | IC50 | ChEMBL |
| O14638 | ENPP3 | Homo sapiens | Human | PF01663 PF01033 | 6.0 | 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 | 6.6 | IC50 | ChEMBL;BindingDB |
| P29990 | Dengue virus type 2 (strain Thailand/16681/1984) | Pathogen | PF20907 PF01003 PF07652 PF21659 PF02832 PF00869 PF01004 PF00948 PF01005 PF01002 PF01350 PF01349 PF00972 PF20483 PF01570 PF01728 PF00949 | 6.1 | Ki | ChEMBL |
DrugBank Target Actions (10)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P15289 | P15289 | Arylsulfatase A | inhibitor | enzymes |
| P47712 | PLA2G4A | Cytosolic phospholipase A2 | inhibitor | enzymes |
| P21817 | RYR1 | Ryanodine receptor 1 | agonist | targets |
| P23945 | FSHR | Follicle-stimulating hormone receptor | antagonist | targets |
| P41231 | P41231 | P2Y purinoceptor 2 | antagonist | targets |
| P68638 | P68638 | Complement control protein C3 | binder | targets |
| P00734 | F2 | Prothrombin | inhibitor | targets |
| P14555 | PLA2G2A | Phospholipase A2, membrane associated | inhibitor | targets |
| Q9NXA8 | SIRT5 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | inhibitor | targets |
| Q9Y251 | HPSE | Heparanase | inhibitor | targets |