[125I]SB-236636   Click here for help

GtoPdb Ligand ID: 2710

 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 5
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 85.03
Molecular weight 510.07
XLogP 4.48
No. Lipinski's rules broken 0
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Canonical SMILES CCOC(C(=O)O)Cc1ccc(c(c1)I)OCCN(c1nc2c(o1)cccc2)C
Isomeric SMILES CCO[C@H](C(=O)O)Cc1ccc(c(c1)[125I])OCCN(c1nc2c(o1)cccc2)C
InChI InChI=1S/C21H23IN2O5/c1-3-27-19(20(25)26)13-14-8-9-17(15(22)12-14)28-11-10-24(2)21-23-16-6-4-5-7-18(16)29-21/h4-9,12,19H,3,10-11,13H2,1-2H3,(H,25,26)/t19-/m0/s1/i22-2
1. Young PW, Buckle DR, Cantello BC, Chapman H, Clapham JC, Coyle PJ, Haigh D, Hindley RM, Holder JC, Kallender H, Latter AJ, Lawrie KW, Mossakowska D, Murphy GJ, Roxbee Cox L, Smith SA. (1998)
Identification of high-affinity binding sites for the insulin sensitizer rosiglitazone (BRL-49653) in rodent and human adipocytes using a radioiodinated ligand for peroxisomal proliferator-activated receptor gamma.
J Pharmacol Exp Ther, 284 (2): 751-9. [PMID:9454824]