15-deoxy-Δ12,14-PGJ2

Ligand Id: 1877
Ligand name 15-deoxy-Δ12,14-PGJ2

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 54.37
Molecular weight 316.2
XLogP 5.34
No. Lipinski's rules broken 2

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
(Z)-7-[(1S,5E)-5-[(Z)-oct-2-enylidene]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid
Synonyms
(Z)-7-[(1S,5E)-5-[(Z)-oct-2-enylidene]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid
15d-Δ12,14-PGJ2
15deoxy-delta-12,14-PGJ2
Database Links
ChEMBL Ligand 515010, 607727, 616370
NURSA Ligand li58, li60
PubChem CID 5283035
RCSB PDB Ligand PTG
Search Google for chemical match using the InChIKey VHRUMKCAEVRUBK-WKELIDJCSA-N
Search Google for chemicals with the same backbone VHRUMKCAEVRUBK
ZINC ZINC04655372