Molecule Details
| InChIKey | BLJRIMJGRPQVNF-JTQLQIEISA-N |
|---|---|
| Compound Name | Timolol |
| Canonical SMILES | CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.71 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00373 |
|---|---|
| Drug Name | Timolol |
| CAS Number | 26839-75-8 |
| Groups | approved investigational |
| ATC Codes | C07AA06 S01ED51 C07BA06 C07DA06 S01ED01 |
| Description | Timolol is a nonselective beta-adrenergic antagonist given in an eye drop solution to reduce intraocular pressure, or pressure in the eyes.[L6724] It is also used in tablet form as a drug to treat hypertension.[L6727] Timolol was first approved by the FDA in 1978.[L6724] This drug is marketed by sev... |
Categories: Adrenergic Antagonists Adrenergic beta-Antagonists Agents causing hyperkalemia Alcohols Amines Amino Alcohols Antiarrhythmic agents Antiglaucoma Preparations and Miotics Antihypertensive Agents Beta Blocking Agents and Thiazides Beta Blocking Agents, Non-Selective Beta Blocking Agents, Non-Selective, and Thiazides Bradycardia-Causing Agents Cardiovascular Agents Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted EENT Drugs, Miscellaneous Hypotensive Agents Morpholines Ophthalmologicals Oxazines P-glycoprotein substrates Potential QTc-Prolonging Agents Propanolamines Propanols QTc Prolonging Agents Sulfur Compounds Thiadiazoles Thiazoles
Cross-references: BindingDB: 50292219 ChEBI: 9599 CHEMBL499 ChemSpider: 31013 Drugs Product Database (DPD): 2292 C07141 PDB: TIM PharmGKB: PA451690 PubChem:33624 PubChem:46507733 RxCUI: 10600 Therapeutic Targets Database: DAP000088 Wikipedia: Timolol ZINC: ZINC000000002176
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07550 | ADRB2 | Homo sapiens | Human | PF00001 | 9.7 | Ki | ChEMBL;BindingDB |
| P08588 | ADRB1 | Homo sapiens | Human | PF00001 | 8.3 | Ki | ChEMBL;BindingDB |
| P13945 | ADRB3 | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 6.4 | Ki | ChEMBL |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P07550 | ADRB2 | Beta-2 adrenergic receptor | antagonist | targets |
| P08588 | ADRB1 | Beta-1 adrenergic receptor | antagonist | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |