Molecule Details
| InChIKey | JLKIGFTWXXRPMT-UHFFFAOYSA-N |
|---|---|
| Compound Name | Sulfamethoxazole |
| Canonical SMILES | Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.08 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01015 |
|---|---|
| Drug Name | Sulfamethoxazole |
| CAS Number | 723-46-6 |
| Groups | approved investigational |
| ATC Codes | J04AM08 J01EE01 G01AE10 J01EC01 |
| Description | Sulfamethoxazole is a bacteriostatic sulfonamide antibiotic that interferes with folic acid synthesis in susceptible bacteria.[L11830] It is generally given in combination with [trimethoprim], which inhibits a sequential step in bacterial folic acid synthesis - these agents work synergistically to b... |
Categories: Agents Causing Muscle Toxicity Agents causing hyperkalemia Amines Aniline Compounds Anti-Bacterial Agents Anti-Infective Agents Antibacterials for Systemic Use Antibiotics for Pneumocystis Pneumonia Antiinfectives for Systemic Use Antimycobacterials BSEP/ABCB11 Inhibitors BSEP/ABCB11 Substrates Benzene Derivatives Benzenesulfonamides Blood Glucose Lowering Agents Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs causing inadvertant photosensitivity Drugs for Treatment of Tuberculosis Drugs that are Mainly Renally Excreted Genito Urinary System and Sex Hormones Gynecological Antiinfectives and Antiseptics Hypoglycemia-Associated Agents Intermediate-Acting Antibacterial Sulfonamides Methemoglobinemia Associated Agents Photosensitizing Agents Potential QTc-Prolonging Agents QTc Prolonging Agents Sulfanilamides Sulfonamide Antibacterial Sulfonamides Sulfonamides and trimethoprim Sulfones Sulfur Compounds
Cross-references: BindingDB: 50029770 ChEBI: 9332 CHEMBL443 ChemSpider: 5138 Drugs Product Database (DPD): 8174 C07315 D00447 PDB: 08D PharmGKB: PA451544 PubChem:5329 PubChem:46508111 RxCUI: 10180 Therapeutic Targets Database: DNC001393 Wikipedia: Sulfamethoxazole ZINC: ZINC000000089763
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04585 | gag-pol | Human immunodeficiency virus type 1 group M subtype B (isolate HXB2) | Pathogen | PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098 | 7.1 | Kd | BindingDB |
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 7.1 | Kd | ChEMBL |
| P16184 | Pneumocystis carinii | Pathogen | PF00186 | 7.0 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | substrate | carriers |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P11245 | P11245 | Arylamine N-acetyltransferase 2 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P18440 | P18440 | Arylamine N-acetyltransferase 1 | substrate | enzymes |
| P0AC13 | P0AC13 | Dihydropteroate synthase | antagonist | targets |
| O95342 | ABCB11 | Bile salt export pump | inhibitor | transporters |