MISOPROSTOL


Trade Names	CYTOTEC MISOPROSTOL
Synonyms	Cytotec Misoprostol Mysodelle SC-29333 Topogyne
Status
Molecule Category	Free-form
ATC	A02BB01 G02AD06
UNII	0E43V0BB57
EPA CompTox	DTXSID7020897


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

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


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


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).