indomethacin

Ligand id: 1909

Name: indomethacin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 66.84
Molecular weight 357.08
XLogP 3.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
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Binding of prostaglandins to human PPARgamma: tool assessment and new natural ligands.
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Identification of determinants of ligand binding affinity and selectivity in the prostaglandin D2 receptor CRTH2.
J Biol Chem280: 32442-32451. [PMID:16030019]
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Expression and molecular pharmacology of the mouse CRTH2 receptor.
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Peroxisome proliferator-activated receptors alpha and gamma are activated by indomethacin and other non-steroidal anti-inflammatory drugs.
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Identification of a principal mRNA species for human 3alpha-hydroxysteroid dehydrogenase isoform (AKR1C3) that exhibits high prostaglandin D2 11-ketoreductase activity.
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Identification of an intestinal folate transporter and the molecular basis for hereditary folate malabsorption.
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Molecular pharmacology of the human prostaglandin D2 receptor, CRTH2.
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8. Skarydová L, Zivná L, Xiong G, Maser E, Wsól V. (2009)
AKR1C3 as a potential target for the inhibitory effect of dietary flavonoids.
Chem. Biol. Interact.178 (1-3): 138-44. [PMID:19007764]
9. Sugimoto H, Shichijo M, Okano M, Bacon KB. (2005)
CRTH2-specific binding characteristics of [3H]ramatroban and its effects on PGD2-, 15-deoxy-Delta12, 14-PGJ2- and indomethacin-induced agonist responses.
Eur J Pharmacol524: 30-37. [PMID:16256979]