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Ligand

NameCHEMBL48528
Molecular formulaC16H19ClN4S
IUPAC nameN-[(3-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
Molecular weight334.866
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM50409203
N-(3-Chlorobenzyl)-4-(1H-imidazole-4-yl)piperidine-1-carbothioamide
Inchi KeyCOIXEJNPGZRILZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H19ClN4S/c17-14-3-1-2-12(8-14)9-19-16(22)21-6-4-13(5-7-21)15-10-18-11-20-15/h1-3,8,10-11,13H,4-7,9H2,(H,18,20)(H,19,22)
PubChem CID10806686
ChEMBLCHEMBL48528
IUPHARN/A
BindingDB50409203
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
46696Histamine H3 receptorQ9JI35HRH3Cavia porcellus (Guinea pig)445

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