Molecule Details
InChIKeyBLJRIMJGRPQVNF-JTQLQIEISA-N
Compound NameTimolol
Canonical SMILESCC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL7.71
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00373
Drug NameTimolol
CAS Number26839-75-8
Groups approved investigational
ATC Codes C07AA06 S01ED51 C07BA06 C07DA06 S01ED01
DescriptionTimolol 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