AH6809   Click here for help

GtoPdb Ligand ID: 1896

Synonyms: AH 6809 | AH-6809
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: AH6809 is an EP1 and EP2 prostanoid receptor antagonist.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 76.74
Molecular weight 298.08
XLogP 4.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C
Isomeric SMILES CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C
InChI InChI=1S/C17H14O5/c1-9(2)21-11-4-5-12-15(8-11)22-14-6-3-10(17(19)20)7-13(14)16(12)18/h3-9H,1-2H3,(H,19,20)
InChI Key AQFFXPQJLZFABJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
9-oxo-6-propan-2-yloxyxanthene-2-carboxylic acid
Synonyms Click here for help
AH 6809 | AH-6809
Database Links Click here for help
Specialist databases
GPCRdb Ligand AH6809
Other databases
ChEMBL Ligand CHEMBL1317823
GtoPdb PubChem SID 135649910
PubChem CID 119461
Search Google for chemical match using the InChIKey AQFFXPQJLZFABJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AQFFXPQJLZFABJ
UniChem Compound Search for chemical match using the InChIKey AQFFXPQJLZFABJ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey AQFFXPQJLZFABJ-UHFFFAOYSA-N

Product suppliers

View disclaimer

Tocris
AH 6809 (links to external site)
Cat. No. 0671