DINOPROST

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC G02AD01
UNII B7IN85G1HY
EPA CompTox DTXSID9022946

Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H34O5
Molecular Weight 354.49
AlogP 3.04
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 12.0
Polar Surface Area 97.99
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 25.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 5.03-12.94
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Prostanoid receptor
12.59-600 2.5-380 - 119-130 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - - 129-130 -
Electrophorus electricus
- - - - 12.94
Equus caballus
- - - - 5.03
Felis catus
6.7 - - - -
Homo sapiens
- 2.5-380 - - -
Mus musculus
12.59-24.5 - - - -
Ovis aries
- 43 - - -

Cross References

Resources Reference
ChEBI 15553
ChEMBL CHEMBL815
DrugBank DB12789
DrugCentral 912
FDA SRS B7IN85G1HY
Guide to Pharmacology 1884
KEGG C00639
SureChEMBL SCHEMBL24292
ZINC ZINC000003830709
CONTENTS