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Ligand

NameCHEMBL1092105
Molecular formulaC21H25ClFN3O
IUPAC name1-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]urea
Molecular weight389.899
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.3
Synonyms1-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-3-(4-fluorobenzyl)urea
BDBM50314296
Inchi KeyAJQVFVAJQHQUGW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25ClFN3O/c1-2-25-13-11-20(12-14-25)26(19-9-5-17(22)6-10-19)21(27)24-15-16-3-7-18(23)8-4-16/h3-10,20H,2,11-15H2,1H3,(H,24,27)
PubChem CID46884462
ChEMBLCHEMBL1092105
IUPHARN/A
BindingDB50314296
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
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GLASS IDNameUniProtGeneSpeciesLength
7153Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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