DINOPROST

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: G02AD01
UNII: B7IN85G1HY

Structure
InChI Key PXGPLTODNUVGFL-YNNPMVKQSA-N
Smile CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=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/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
- - - - 0.5147
Enzyme Transferase
- - - - 16.64
Enzyme
- - - - 0.5147
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 1.66-3.71
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Prostanoid receptor
12.59-24.5 2.5-43 - 129-130 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- 287 - 104 -

Cross References

Resources Reference
ChEBI 15553
ChEMBL CHEMBL815
DrugBank DB12789
DrugCentral 912
EPA CompTox DTXSID9022946
FDA SRS B7IN85G1HY
Guide to Pharmacology 1884
KEGG C00639
PDB UGU
PubChem 5280363
SureChEMBL SCHEMBL24292
ZINC ZINC000003830709
CONTENTS