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Ligand

NameCHEMBL1835993
Molecular formulaC25H30N4O
IUPAC nameN-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]benzamide
Molecular weight402.542
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50354215
SCHEMBL4943997
Inchi KeyAIYLLDBNJZOQLD-JOCHJYFZSA-N
Inchi IDInChI=1S/C25H30N4O/c1-18-26-23-8-3-4-9-24(23)29(18)16-19-10-12-20(13-11-19)25(30)27(2)22-14-15-28(17-22)21-6-5-7-21/h3-4,8-13,21-22H,5-7,14-17H2,1-2H3/t22-/m1/s1
PubChem CID25120954
ChEMBLCHEMBL1835993
IUPHARN/A
BindingDB50354215
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
6651Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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