[125I]HEAT   Click here for help

GtoPdb Ligand ID: 482

Synonyms: [125I] BE2254 | [125I] HEAT | [125I]-HEAT | [125I]BE2254
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Comment: [125I]HEAT and [125I]BE2254 are the same compound, and when referred to in the literature, are interchangeable. HEAT is an antagonist of α1-adrenoceptors.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 49.33
Molecular weight 421.05
XLogP 4.59
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Oc1ccc(c(c1)I)CCNCC1CCc2c(C1=O)cccc2
Isomeric SMILES Oc1ccc(c(c1)[125I])CCNCC1CCc2c(C1=O)cccc2
InChI InChI=1S/C19H20INO2/c20-18-11-16(22)8-7-14(18)9-10-21-12-15-6-5-13-3-1-2-4-17(13)19(15)23/h1-4,7-8,11,15,21-22H,5-6,9-10,12H2/i20-2
InChI Key MIQRUWUVLIWVAW-STTHPYEQSA-N
References
1. Shibata K, Foglar R, Horie K, Obika K, Sakamoto A, Ogawa S, Tsujimoto G. (1995)
KMD-3213, a novel, potent, alpha 1a-adrenoceptor-selective antagonist: characterization using recombinant human alpha 1-adrenoceptors and native tissues.
Mol Pharmacol, 48 (2): 250-8. [PMID:7651358]