travoprost

Ligand id: 7102

Name: travoprost

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 96.22
Molecular weight 500.24
XLogP 5.18
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Approved drug? Yes (source: EMA and FDA (2001))
IUPAC Name
propan-2-yl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl]cyclopentyl]hept-5-enoate
International Nonproprietary Names
INN number INN
7775 travoprost
Synonyms
AL-6221
Travatan®
Database Links
CAS Registry No. 157283-68-6
ChEBI CHEBI:746859
ChEMBL Ligand CHEMBL1200799
DrugBank Ligand DB00287
PubChem CID 5282226
Search Google for chemical match using the InChIKey MKPLKVHSHYCHOC-AHTXBMBWSA-N
Search Google for chemicals with the same backbone MKPLKVHSHYCHOC
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Comments
Travoprost is an analogue of prostaglindin F (PGF). The drug itself is a prodrug that is hydrolysed in vivo to an active free acid form.