DINOPROSTONE

Search structure
Trade Names:
Synonyms:
Status: Approved (1977)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: G02AD02
UNII: K7Q1JQR04M

Structure
InChI Key XEYBRNLFEZDVAW-ARSRFYASSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Prostaglandin E2 receptor agonist FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 15
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Prostanoid receptor
0-8 1-10 - 0-3 5
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - 18000-18197 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 3 D010146 ClinicalTrials
Pregnancy 3 D011247 ClinicalTrials

Related Entries

MCS

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Pregnancy, puerperium and perinatal conditions
25.02
Reproductive system and breast disorders
11.69
Injury, poisoning and procedural complications
10.37
Vascular disorders
9.52
General disorders and administration site conditions
8.08
Nervous system disorders
5.84
Respiratory, thoracic and mediastinal disorders
5.12
Cardiac disorders
3.87
Investigations
2.76
Blood and lymphatic system disorders
2.36
Psychiatric disorders
2.1

Cross References

Resources Reference
CAS NUMBER 363-24-6
ChEBI 15551
ChEMBL CHEMBL548
DrugBank DB00917
DrugCentral 913
EPA CompTox DTXSID4022947
FDA SRS K7Q1JQR04M
Human Metabolome Database HMDB0001220
Guide to Pharmacology 1883
KEGG C00584
PDB P2E
PharmGKB PA449345
PubChem 5280360
SureChEMBL SCHEMBL25533
ZINC ZINC000003830713
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