[125I]CGP 64213   Click here for help

GtoPdb Ligand ID: 1076

Synonyms: [125I]CGP64213
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 17
Topological polar surface area 166
Molecular weight 646.13
XLogP 3.34
No. Lipinski's rules broken 2
Click here for help
Canonical SMILES O=C(CCc1ccc(c(c1)I)O)NCCCCCP(=O)(CC(CNC(c1cccc(c1)C(=O)O)C)O)O
Isomeric SMILES O=C(CCc1ccc(c(c1)[125I])O)NCCCCCP(=O)(C[C@H](CN[C@@H](c1cccc(c1)C(=O)O)C)O)O
InChI InChI=1S/C26H36IN2O7P/c1-18(20-6-5-7-21(15-20)26(33)34)29-16-22(30)17-37(35,36)13-4-2-3-12-28-25(32)11-9-19-8-10-24(31)23(27)14-19/h5-8,10,14-15,18,22,29-31H,2-4,9,11-13,16-17H2,1H3,(H,28,32)(H,33,34)(H,35,36)/t18-,22+/m1/s1/i27-2
1. Galvez T, Urwyler S, Prézeau L, Mosbacher J, Joly C, Malitschek B, Heid J, Brabet I, Froestl W, Bettler B et al.. (2000)
Ca(2+) requirement for high-affinity gamma-aminobutyric acid (GABA) binding at GABA(B) receptors: involvement of serine 269 of the GABA(B)R1 subunit.
Mol Pharmacol, 57 (3): 419-26. [PMID:10692480]
2. Kaupmann K, Huggel K, Heid J, Flor PJ, Bischoff S, Mickel SJ, McMaster G, Angst C, Bittiger H, Froestl W et al.. (1997)
Expression cloning of GABA(B) receptors uncovers similarity to metabotropic glutamate receptors.
Nature, 386 (6622): 239-46. [PMID:9069281]