Ligand Id: 4482
Ligand name thromboxane A2

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 75.99
Molecular weight 352.22
XLogP 4.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
IUPAC Name
(Z)-7-[(1S,2S,3R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-4,7-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
Synonyms
TXA2
Database Links
CAS Registry No. 57576-52-0
ChEBI CHEBI:15627
Human Metabolome Database HMDB01452
Lipid Maps LMFA03030001
Search on ChemSpider DSNBHJFQCNUKMA-SCKDECHMSA-N
Wikipedia Thromboxane_A2
ZINC ZINC04095825

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