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Ligand

NameCHEMBL1223152
Molecular formulaC28H31N5O2
IUPAC name3-[1-[1-(quinolin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular weight469.589
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50325452
1-(1-(1-(quinolin-4-ylmethyl)piperidine-4-carbonyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
Inchi KeyAUMOEAVBRPKFTP-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31N5O2/c34-27(32-17-12-22(13-18-32)33-26-8-4-3-7-25(26)30-28(33)35)20-10-15-31(16-11-20)19-21-9-14-29-24-6-2-1-5-23(21)24/h1-9,14,20,22H,10-13,15-19H2,(H,30,35)
PubChem CID49865285
ChEMBLCHEMBL1223152
IUPHARN/A
BindingDB50325452
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
14783Histamine H3 receptorQ9JI35HRH3Cavia porcellus (Guinea pig)445

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