Molecule Details
| InChIKey | HCRKCZRJWPKOAR-JTQLQIEISA-N |
|---|---|
| Compound Name | Brinzolamide |
| Canonical SMILES | CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 18 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.67 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01194 |
|---|---|
| Drug Name | Brinzolamide |
| CAS Number | 138890-62-7 |
| Groups | approved investigational |
| ATC Codes | S01EC54 S01EC04 G01AE10 |
| Description | Brinzolamide is a highly specific, non-competitive, reversible carbonic anhydrase II (CA-II) inhibitor indicated to reduce ocular pressure in patients with ocular hypertension or open-angle glaucoma.[L35310] Although the exact pathophysiology of glaucoma is still unknown, one of the main hallmarks o... |
Categories: Amides Antiglaucoma Preparations and Miotics Carbonic Anhydrase Inhibitors Cytochrome P-450 CYP2A6 Substrates Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Diuretics Enzyme Inhibitors Genito Urinary System and Sex Hormones Gynecological Antiinfectives and Antiseptics Ophthalmics Ophthalmologicals Sensory Organs Sulfonamides Sulfones Sulfur Compounds
Cross-references: BindingDB: 10885 ChEBI: 3176 CHEMBL220491 ChemSpider: 62077 Drugs Product Database (DPD): 11799 C07760 D00652 PDB: BZ1 PharmGKB: PA164744929 PubChem:68844 PubChem:46507071 RxCUI: 194881 Therapeutic Targets Database: DAP000602 Wikipedia: Brinzolamide ZINC: ZINC000003953037
Target Activities (18)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P23280 | CA6 | Homo sapiens | Human | PF00194 | 9.1 | Ki | ChEMBL;BindingDB |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 8.6 | Ki | ChEMBL;BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 8.5 | Ki | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 8.5 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.5 | pIC50 | TTD_MultiTarget |
| Q8N1Q1 | CA13 | Homo sapiens | Human | PF00194 | 8.0 | Ki | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 7.8 | 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 |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.4 | Ki | ChEMBL;BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 7.3 | IC50 | ChEMBL;BindingDB |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 7.3 | Ki | ChEMBL;BindingDB |
| Q31FD6 | Hydrogenovibrio crunogenus (strain DSM 25203 / XCL-2) | Pathogen | PF00194 | 8.4 | Ki | ChEMBL;BindingDB | |
| Q3I4V7 | CAN2 | Cryptococcus neoformans | Pathogen | PF00484 | 7.1 | Ki | ChEMBL;BindingDB |
| P53615 | NCE103 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF00484 | 6.9 | Ki | ChEMBL;BindingDB |
| P9WPJ9 | mtcA2 | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF00484 | 6.9 | Ki | ChEMBL;BindingDB |
| O24855 | cynT | Helicobacter pylori (strain ATCC 700392 / 26695) | Pathogen | PF00484 | 6.6 | Ki | ChEMBL;BindingDB |
| P9WPJ7 | mtcA1 | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF00484 | 6.1 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (10)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P11509 | CYP2A6 | Cytochrome P450 2A6 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | 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 |
| P35218 | CA5A | Carbonic anhydrase 5A, mitochondrial | inhibitor | targets |