TRAVOPROST

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC S01EE04
UNII WJ68R08KX9
EPA CompTox DTXSID80896948

Structure

InChI Key MKPLKVHSHYCHOC-AHTXBMBWSA-N
Smiles CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O
InChI
InChI=1S/C26H35F3O6/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3/b5-3-,13-12+/t19-,21-,22-,23+,24-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H35F3O6
Molecular Weight 500.55
AlogP 4.43
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 12.0
Polar Surface Area 96.22
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Prostanoid FP receptor agonist AGONIST DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Other ion channel Pore-forming toxins (proteins and peptides)
- - - - 0
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Oryctolagus cuniculus
- - - - 0

Target Conservation

Protein: Prostanoid FP receptor
Description: Prostaglandin F2-alpha receptor
Organism : Homo sapiens
P43088 ENSG00000122420

Cross References

Resources Reference
ChEBI 746859
ChEMBL CHEMBL1200799
DrugBank DB00287
DrugCentral 2716
FDA SRS WJ68R08KX9
Human Metabolome Database HMDB0014432
Guide to Pharmacology 7102
PharmGKB PA164781371
PubChem 5282226
SureChEMBL SCHEMBL93818
ZINC ZINC000004474682
CONTENTS