timolol

Ligand id: 565

Name: timolol

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: timolol

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 107.98
Molecular weight 316.16
XLogP 1.28
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1981))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
International Nonproprietary Names
INN number INN
3415 timolol
Synonyms
Timoptic®
Comments
Marketed formulations may contain timolol maleate (PubChem CID 5281056).
Database Links
BindingDB Ligand 25767
CAS Registry No. 26839-75-8
ChEMBL Ligand CHEMBL499
DrugBank Ligand DB00373
GtoPdb PubChem SID 135651263
PubChem CID 33624
RCSB PDB Ligand TIM
Search Google for chemical match using the InChIKey BLJRIMJGRPQVNF-JTQLQIEISA-N
Search Google for chemicals with the same backbone BLJRIMJGRPQVNF
Search PubMed clinical trials timolol
Search PubMed titles timolol
Search PubMed titles/abstracts timolol
Search UniChem for chemical match using the InChIKey BLJRIMJGRPQVNF-JTQLQIEISA-N
Search UniChem for chemicals with the same backbone BLJRIMJGRPQVNF
SynPHARM 1888 (in complex with β2-adrenoceptor)
Wikipedia Timolol