[3H]apafant   Click here for help

GtoPdb Ligand ID: 1859

Synonyms: [3H]WEB 2086
 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 6
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 100.33
Molecular weight 455.12
XLogP 3.76
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl
Isomeric SMILES O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl
InChI InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3
InChI Key JGPJQFOROWSRRS-UHFFFAOYSA-N
References
1. Aoki Y, Nakamura M, Kodama H, Matsumoto T, Shimizu T, Noma M. (1995)
A radioreceptor binding assay for platelet-activating factor (PAF) using membranes from CHO cells expressing human PAF receptor.
J Immunol Methods, 186 (2): 225-31. [PMID:7594622]
2. Fukunaga K, Ishii S, Asano K, Yokomizo T, Shiomi T, Shimizu T, Yamaguchi K. (2001)
Single nucleotide polymorphism of human platelet-activating factor receptor impairs G-protein activation.
J Biol Chem, 276 (46): 43025-30. [PMID:11560941]
3. Nakamura M, Honda Z, Izumi T, Sakanaka C, Mutoh H, Minami M, Bito H, Seyama Y, Matsumoto T, Noma M et al.. (1991)
Molecular cloning and expression of platelet-activating factor receptor from human leukocytes.
J Biol Chem, 266 (30): 20400-5. [PMID:1657923]