ALPROSTADIL

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C01EA01 G04BE01
UNII F5TD010360
EPA CompTox DTXSID9022578

Structure

InChI Key GMVPRGQOIOIIMI-DWKJAMRDSA-N
Smiles CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O
InChI
InChI=1S/C20H34O5/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/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H34O5
Molecular Weight 354.49
AlogP 3.48
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 13.0
Polar Surface Area 94.83
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Prostanoid EP1 receptor agonist AGONIST ISBN FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - -1.69-16.57
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Prostanoid receptor
1.8-3.6 - - 3.1-150 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Electrophorus electricus
- - - - 16.57
Equus caballus
- - - -
Homo sapiens
- 70 - 150 1-94
Mus musculus
2.5-3.6 - - 3.1-41 -

Target Conservation

Protein: Prostanoid EP1 receptor
Description: Prostaglandin E2 receptor EP1 subtype
Organism : Homo sapiens
P34995 ENSG00000160951
Protein: Prostanoid EP2 receptor
Description: Prostaglandin E2 receptor EP2 subtype
Organism : Homo sapiens
P43116 ENSG00000125384

Related Entries

Cross References

Resources Reference
ChEBI 15544
ChEMBL CHEMBL495
DrugBank DB00770
DrugCentral 138
FDA SRS F5TD010360
Human Metabolome Database HMDB0001442
Guide to Pharmacology 1882
KEGG C04741
PDB XPG
PubChem 5280723
SureChEMBL SCHEMBL33317
ZINC ZINC000003813088
CONTENTS