[3H]SQ-29548   Click here for help

GtoPdb Ligand ID: 1985

Synonyms: [3H]-SQ29548 | [3H]SQ-28053 | [3H]SQ29548
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 12
Topological polar surface area 99.69
Molecular weight 387.22
XLogP 3.38
No. Lipinski's rules broken 0
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Canonical SMILES O=C(Nc1ccccc1)NNCC1C2CCC(C1CC=CCCCC(=O)O)O2
Isomeric SMILES O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2
InChI InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18-,19+/m1/s1
1. Abe T, Takeuchi K, Takahashi N, Tsutsumi E, Taniyama Y, Abe K. (1995)
Rat kidney thromboxane receptor: molecular cloning, signal transduction, and intrarenal expression localization.
J Clin Invest, 96 (2): 657-64. [PMID:7635958]
2. 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]
3. Wilson RJ, Giblin GM, Roomans S, Rhodes SA, Cartwright KA, Shield VJ, Brown J, Wise A, Chowdhury J, Pritchard S et al.. (2006)
GW627368X ((N-{2-[4-(4,9-diethoxy-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)phenyl]acetyl} benzene sulphonamide): a novel, potent and selective prostanoid EP4 receptor antagonist.
Br J Pharmacol, 148 (3): 326-39. [PMID:16604093]