DINOPROSTONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC G02AD02
UNII K7Q1JQR04M
EPA CompTox DTXSID4022947

Structure

InChI Key XEYBRNLFEZDVAW-ARSRFYASSA-N
Smiles CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H32O5
Molecular Weight 352.47
AlogP 3.25
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 12.0
Polar Surface Area 94.83
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Prostaglandin E2 receptor agonist AGONIST FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - -2.38-14.85
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Prostanoid receptor
0.02-347 0.45-260 - 0.11-38 5
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Electrophorus electricus
- - - - 14.85
Equus caballus
- - - -
Homo sapiens
0.02-347 0.45-260 - 0.11-38 5
Mus musculus
- - - 3.1-22 -
Rattus norvegicus
0.2-19 2.1-5.2 - - 70-89

Related Entries

Cross References

Resources Reference
ChEBI 15551
ChEMBL CHEMBL548
DrugBank DB00917
DrugCentral 913
FDA SRS K7Q1JQR04M
Human Metabolome Database HMDB0001220
Guide to Pharmacology 1883
KEGG C00584
PDB P2E
PharmGKB PA449345
PubChem 5280360
SureChEMBL SCHEMBL25533
ZINC ZINC000003830713
CONTENTS