GSK-189254   Click here for help

GtoPdb Ligand ID: 10736

Synonyms: GSK-189,254 | GSK189254
Compound class: Synthetic organic
Comment: Potent and selective H3 histamine receptor inverse agonist. Radioligand 11C-GSK189254 can be used to quantify H3 receptor availability in humans in vivo using PET.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 54.46
Molecular weight 351.19
XLogP 3.04
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNC(=O)c1ccc(nc1)Oc1ccc2c(c1)CCN(CC2)C1CCC1
Isomeric SMILES CNC(=O)c1ccc(nc1)Oc1ccc2c(c1)CCN(CC2)C1CCC1
InChI InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)
InChI Key WROHEWWOCPRMIA-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)oxy]-N-methylpyridine-3-carboxamide
Synonyms Click here for help
GSK-189,254 | GSK189254
Database Links Click here for help
CAS Registry No. 720690-73-3
ChEMBL Ligand CHEMBL517140
GtoPdb PubChem SID 405067329
PubChem CID 9798547
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