Molecule Details
| InChIKey | IAVUPMFITXYVAF-XPUUQOCRSA-N |
|---|---|
| Compound Name | Dorzolamide |
| Canonical SMILES | CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 17 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.6 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00869 |
|---|---|
| Drug Name | Dorzolamide |
| CAS Number | 120279-96-1 |
| Groups | approved investigational |
| ATC Codes | G01AE10 S01EE52 S01EC03 |
| Description | Dorzolamide is a non-bacteriostatic sulfonamide derivative [A1304] and topical carbonic anhydrase (CA) inhibitor that treats elevated intraocular pressure (IOP) associated with open-angle glaucoma and ocular hypertension.[L11377] It works by blocking an enzyme in the ciliary process that regulates i... |
Categories: Amides Antiglaucoma Preparations and Miotics Antihypertensive Agents Carbonic Anhydrase Inhibitors Cardiovascular Agents Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2E1 Substrates Cytochrome P-450 Substrates Diuretics Drugs that are Mainly Renally Excreted Enzyme Inhibitors Genito Urinary System and Sex Hormones Gynecological Antiinfectives and Antiseptics Intraocular Pressure, drug effects Ophthalmologicals Prostaglandins, Synthetic Sensory Organs Sulfonamides Sulfones Sulfur Compounds
Cross-references: BindingDB: 10884 ChEBI: 4702 CHEMBL218490 ChemSpider: 4447604 Drugs Product Database (DPD): 11213 C06969 D07871 PDB: ETS PharmGKB: PA164748765 PubChem:5284549 PubChem:46506754 RxCUI: 60207 Therapeutic Targets Database: DAP000775 Wikipedia: Dorzolamide ZINC: ZINC000001530621
Target Activities (17)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 9.7 | pIC50 | TTD_MultiTarget |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 8.5 | Ki | ChEMBL;BindingDB |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 8.5 | Ki | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 8.1 | Ki | ChEMBL;BindingDB |
| P23280 | CA6 | Homo sapiens | Human | PF00194 | 8.0 | Ki | ChEMBL;BindingDB |
| Q8N1Q1 | CA13 | Homo sapiens | Human | PF00194 | 7.7 | Ki | ChEMBL;BindingDB |
| Q9ULX7 | CA14 | Homo sapiens | Human | PF00194 | 7.6 | Ki | ChEMBL;BindingDB |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 7.5 | Ki | ChEMBL;BindingDB |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 7.4 | Ki | ChEMBL;BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 7.4 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.3 | Ki | ChEMBL;BindingDB |
| P10275 | AR | Homo sapiens | Human | PF02166 PF00104 PF00105 | 7.2 | IC50 | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.3 | Ki | ChEMBL;BindingDB |
| Q31FD6 | Hydrogenovibrio crunogenus (strain DSM 25203 / XCL-2) | Pathogen | PF00194 | 8.2 | Ki | ChEMBL;BindingDB | |
| P9WPJ9 | mtcA2 | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF00484 | 7.0 | Ki | ChEMBL;BindingDB |
| P53615 | NCE103 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF00484 | 7.0 | Ki | ChEMBL;BindingDB |
| P9WPJ7 | mtcA1 | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF00484 | 6.1 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P00176 | Cyp2b1 | Cytochrome P450 2B1 | substrate | enzymes |
| P05181 | CYP2E1 | Cytochrome P450 2E1 | substrate | enzymes |
| P05183 | P05183 | Cytochrome P450 3A2 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P00915 | CA1 | Carbonic anhydrase 1 | inhibitor | targets |
| P00918 | CA2 | Carbonic anhydrase 2 | inhibitor | targets |
| P07451 | CA3 | Carbonic anhydrase 3 | inhibitor | targets |
| P22748 | CA4 | Carbonic anhydrase 4 | inhibitor | targets |