Ligand Id: 1888
Ligand name U46619

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 66.76
Molecular weight 350.25
XLogP 4.63
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Summary Biological activity References Structure Similar ligands Radio analogues
Classification
Compound class Synthetic organic
IUPAC Name
(Z)-7-[(1S,4R,5R,6S)-5-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
Synonyms
11α,9α-epoxymethano-PGH2
15-Hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic Acid
U 46619
(Z)-7-[(1R,2S,3S,4S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxabicyclo[2.2.1]hept-3-yl]hept-5-enoic acid
Database Links
BindingDB Ligand 50292409
ChEBI CHEBI:212846
ChEMBL Ligand 344083, 583940, 107388, 212846
PubChem CID 5311493
Search Google for chemical match using the InChIKey LQANGKSBLPMBTJ-BRSNVKEHSA-N
Search Google for chemicals with the same backbone LQANGKSBLPMBTJ
Wikipedia U46619
ZINC ZINC08716754

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