Ligand Id: 1881
Ligand name PGD2

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 94.83
Molecular weight 352.22
XLogP 2.9
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands Radio analogues
Classification
Compound class Metabolite or derivative
IUPAC Name
(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
Synonyms
11-dehydroprostaglandin F2-α
9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid
BRN 2170623
PGD2
prostaglandin D2
(Z)-7-[(1R,2S,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-cyclopentyl]hept-5-enoic acid
Database Links
CAS Registry No. 41598-07-6 (source: ChEBI)
ChEBI CHEBI:15555
ChEMBL Ligand 403276, 403320, 376612, 376798
Human Metabolome Database HMDB01403
PubChem CID 448457
RCSB PDB Ligand PG2
Search on ChemSpider BHMBVRSPMRCCGG-OUTUXVNYSA-N
Wikipedia Prostaglandin_D2
ZINC ZINC18130819
iPHACE DVZINML1

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org