timolol

Ligand id: 565

Name: timolol

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Structure and Physico-chemical Properties

2D Structure
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 0.25
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1981))
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®
Database Links
BindingDB Ligand 25767
CAS Registry No. 26839-75-8
ChEMBL Ligand CHEMBL499
DrugBank Ligand DB00373
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
Comments
Marketed formulations may contain timolol maleate (PubChem CID 5281056).