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Ligand

NameCHEMBL50873
Molecular formulaC16H19IN4S
IUPAC name4-(1H-imidazol-5-yl)-N-[(2-iodophenyl)methyl]piperidine-1-carbothioamide
Molecular weight426.32
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM50409199
N-(2-Iodobenzyl)-4-(1H-imidazole-4-yl)piperidine-1-carbothioamide
Inchi KeyCBJFSWZYUGFYDG-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H19IN4S/c17-14-4-2-1-3-13(14)9-19-16(22)21-7-5-12(6-8-21)15-10-18-11-20-15/h1-4,10-12H,5-9H2,(H,18,20)(H,19,22)
PubChem CID10410184
ChEMBLCHEMBL50873
IUPHARN/A
BindingDB50409199
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37931Histamine H3 receptorQ9JI35HRH3Cavia porcellus (Guinea pig)445

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