MISOPROSTOL

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A02BB01 G02AD06
UNII 0E43V0BB57
EPA CompTox DTXSID7020897

Structure

InChI Key OJLOPKGSLYJEMD-URPKTTJQSA-N
Smiles CCCCC(C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
InChI
InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H38O5
Molecular Weight 382.54
AlogP 3.95
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 13.0
Polar Surface Area 83.83
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Prostanoid EP3 receptor agonist AGONIST ISBN DailyMed Wikipedia
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- - - - 79

Target Conservation

Protein: Prostanoid EP3 receptor
Description: Prostaglandin E2 receptor EP3 subtype
Organism : Homo sapiens
P43115 ENSG00000050628

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL606
DrugBank DB00929
DrugCentral 1817
FDA SRS 0E43V0BB57
Human Metabolome Database HMDB0015064
Guide to Pharmacology 1936
PharmGKB PA450523
PubChem 5282381
SureChEMBL SCHEMBL7787
CONTENTS