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.
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2D Structure
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Physico-chemical Properties
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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
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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
References
1. Abramovitz M, Adam M, Boie Y, Carrière M, Denis D, Godbout C, Lamontagne S, Rochette C, Sawyer N, Tremblay NM et al.. (2000)
The utilization of recombinant prostanoid receptors to determine the affinities and selectivities of prostaglandins and related analogs.
Biochim. Biophys. Acta, 1483 (2): 285-93. [PMID:10634944]
2. Boie Y, Stocco R, Sawyer N, Slipetz DM, Ungrin MD, Neuschäfer-Rube F, Püschel GP, Metters KM, Abramovitz M. (1997)
Molecular cloning and characterization of the four rat prostaglandin E2 prostanoid receptor subtypes.
Eur. J. Pharmacol., 340 (2-3): 227-41. [PMID:9537820]
3. Kiriyama M, Ushikubi F, Kobayashi T, Hirata M, Sugimoto Y, Narumiya S. (1997)
Ligand binding specificities of the eight types and subtypes of the mouse prostanoid receptors expressed in Chinese hamster ovary cells.
Br. J. Pharmacol., 122 (2): 217-24. [PMID:9313928]
4. Sharif NA, Davis TL. (2002)
Cloned human EP1 prostanoid receptor pharmacology characterized using radioligand binding techniques.
J. Pharm. Pharmacol., 54 (4): 539-47. [PMID:11999132]
5. Woodward DF, Pepperl DJ, Burkey TH, Regan JW. (1995)
6-Isopropoxy-9-oxoxanthene-2-carboxylic acid (AH 6809), a human EP2 receptor antagonist.
Biochem. Pharmacol., 50 (10): 1731-3. [PMID:7503778]