PGE2   Click here for help

GtoPdb Ligand ID: 1883

Synonyms: Cervidil® | minprositin E2 | minprostin E2 | Propess® | prostaglandin E2
Approved drug PDB Ligand Immunopharmacology Ligand
PGE2 is an approved drug (FDA (1977))
Compound class: Metabolite
Comment: PGE2 is a the major endogenous prostaglandin. Synthetic PGE2 is known as dinoprostone. PGE2 activates prostanoid family GPCRs.
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View more information in the IUPHAR Pharmacology Education Project: prostaglandin e2

2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 94.83
Molecular weight 352.22
XLogP 2.79
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC(C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O)O
Isomeric SMILES CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)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
InChI Key XEYBRNLFEZDVAW-ARSRFYASSA-N
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Molecular structure representations generated using Open Babel