EPOPROSTENOL

/static/temp/default.svg Search structure
Synonyms
Pgx
Status
Molecule Category Free-form
ATC B01AC09
UNII DCR9Z582X0
EPA CompTox DTXSID5022988

Structure

InChI Key KAQKFAOMNZTLHT-OZUDYXHBSA-N
Smiles CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)O[C@H]2C[C@H]1O
InChI
InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H32O5
Molecular Weight 352.47
AlogP 3.41
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 86.99
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 25.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
28 - - - -
Homo sapiens
- 0.66-8 - - -
Rattus norvegicus
- 2.6 - - -

Cross References

Resources Reference
ChEBI 15552
ChEMBL CHEMBL1139
DrugBank DB01240
DrugCentral 1034
FDA SRS DCR9Z582X0
Human Metabolome Database HMDB0001335
Guide to Pharmacology 1915
PubChem 5282411
SureChEMBL SCHEMBL8041
ZINC ZINC000003813078
CONTENTS