Molecule Details
| InChIKey | UBQNRHZMVUUOMG-UHFFFAOYSA-N |
|---|---|
| Compound Name | Zonisamide |
| Canonical SMILES | N=S(=O)(O)Cc1noc2ccccc12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 14 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.2 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00909 |
|---|---|
| Drug Name | Zonisamide |
| CAS Number | 68291-97-4 |
| Groups | approved investigational |
| ATC Codes | N03AX15 G01AE10 |
| Description | Zonisamide is a sulfonamide anticonvulsant used as an adjunctive therapy in adults with partial-onset seizures.[L42530,L42535] Zonisamide may act by blocking repetitive firing of voltage-gated sodium channels, leading to a reduction of T-type calcium channel currents or by binding allosterically to ... |
Categories: Agents causing hyperkalemia Amides Anti-epileptic Agent Antiarrhythmic agents Anticonvulsants Bradycardia-Causing Agents Calcium Channel Blockers Calcium-Regulating Hormones and Agents Carbonic Anhydrase Inhibitors Cardiovascular Agents Central Nervous System Agents Central Nervous System Depressants Compounds used in a research, industrial, or household setting Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Inhibitors (weak) Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Decreased Central Nervous System Disorganized Electrical Activity Diuretics Drugs that are Mainly Renally Excreted Isoxazoles Membrane Transport Modulators Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates Nervous System P-glycoprotein inhibitors Potential QTc-Prolonging Agents QTc Prolonging Agents Sulfonamides Sulfones Sulfur Compounds UGT1A1 Substrates
Cross-references: BindingDB: 50028010 ChEBI: 10127 CHEMBL750 ChemSpider: 5532 C07504 D00538 PDB: ZON PharmGKB: PA451978 PubChem:5734 PubChem:46505278 RxCUI: 39998 Therapeutic Targets Database: DAP000500 Wikipedia: Zonisamide ZINC: ZINC000000004321
Target Activities (14)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 8.4 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 8.3 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.0 | pIC50 | TTD_MultiTarget |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 7.7 | Ki | ChEMBL;BindingDB |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 7.7 | Ki | ChEMBL |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.5 | Ki | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 7.2 | Ki | ChEMBL;BindingDB |
| P23280 | CA6 | Homo sapiens | Human | PF00194 | 7.0 | Ki | ChEMBL;BindingDB |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 6.9 | Ki | ChEMBL;BindingDB |
| Q8N1Q1 | CA13 | Homo sapiens | Human | PF00194 | 6.4 | Ki | ChEMBL;BindingDB |
| P53615 | NCE103 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF00484 | 7.0 | Ki | ChEMBL;BindingDB |
| O24855 | cynT | Helicobacter pylori (strain ATCC 700392 / 26695) | Pathogen | PF00484 | 6.7 | Ki | ChEMBL;BindingDB |
| P9WPJ9 | mtcA2 | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF00484 | 6.1 | Ki | ChEMBL;BindingDB |
| Q3I4V7 | CAN2 | Cryptococcus neoformans | Pathogen | PF00484 | 6.0 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (39)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| Q06278 | AOX1 | Aldehyde oxidase | substrate | enzymes |
| P14867 | GABRA1 | GABA(A) Receptor Benzodiazepine Binding Site | binder | targets |
| O43497 | CACNA1G | Voltage-dependent T-type calcium channel subunit alpha-1G | inhibitor | targets |
| O43570 | CA12 | Carbonic anhydrase 12 | inhibitor | targets |
| O60939 | SCN2B | Sodium channel regulatory subunit beta-2 | inhibitor | targets |
| O75493 | CA11 | Carbonic anhydrase-related protein 11 | inhibitor | targets |
| O95180 | CACNA1H | Voltage-dependent T-type calcium channel subunit alpha-1H | inhibitor | targets |
| P00915 | CA1 | Carbonic anhydrase 1 | inhibitor | targets |
| P00918 | CA2 | Carbonic anhydrase 2 | inhibitor | targets |
| P07451 | CA3 | Carbonic anhydrase 3 | inhibitor | targets |
| P21397 | MAOA | Amine oxidase [flavin-containing] A | inhibitor | targets |
| P22748 | CA4 | Carbonic anhydrase 4 | inhibitor | targets |
| P23280 | CA6 | Carbonic anhydrase 6 | inhibitor | targets |
| P27338 | MAOB | Amine oxidase [flavin-containing] B | inhibitor | targets |
| P35218 | CA5A | Carbonic anhydrase 5A, mitochondrial | inhibitor | targets |
| P35219 | P35219 | Carbonic anhydrase-related protein | inhibitor | targets |
| P35498 | SCN1A | Sodium channel protein type 1 subunit alpha | inhibitor | targets |
| P35499 | SCN4A | Sodium channel protein type 4 subunit alpha | inhibitor | targets |
| P43166 | CA7 | Carbonic anhydrase 7 | inhibitor | targets |
| Q07699 | SCN1B | Sodium channel regulatory subunit beta-1 | inhibitor | targets |
| Q14524 | SCN5A | Sodium channel protein type 5 subunit alpha | inhibitor | targets |
| Q15858 | SCN9A | Sodium channel protein type 9 subunit alpha | inhibitor | targets |
| Q16790 | CA9 | Carbonic anhydrase 9 | inhibitor | targets |
| Q8IWT1 | Q8IWT1 | Sodium channel regulatory subunit beta-4 | inhibitor | targets |
| Q8N1Q1 | CA13 | Carbonic anhydrase 13 | inhibitor | targets |
| Q99250 | SCN2A | Sodium channel protein type 2 subunit alpha | inhibitor | targets |
| Q9NS85 | Q9NS85 | Carbonic anhydrase-related protein 10 | inhibitor | targets |
| Q9NY46 | SCN3A | Sodium channel protein type 3 subunit alpha | inhibitor | targets |
| Q9NY72 | Q9NY72 | Sodium channel regulatory subunit beta-3 | inhibitor | targets |
| Q9P0X4 | CACNA1I | Voltage-dependent T-type calcium channel subunit alpha-1I | inhibitor | targets |
| Q9UI33 | SCN11A | Sodium channel protein type 11 subunit alpha | inhibitor | targets |
| Q9ULX7 | CA14 | Carbonic anhydrase 14 | inhibitor | targets |
| Q9Y2D0 | CA5B | Carbonic anhydrase 5B, mitochondrial | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |