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Ligand

NameCHEMBL3935833
Molecular formulaC20H31N5O4
IUPAC name[1-(5-carbamoylpyridin-2-yl)piperidin-4-yl] 4-(1-methoxypropan-2-yl)piperazine-1-carboxylate
Molecular weight405.499
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP0.7
SynonymsSCHEMBL14843870
US9216182, 1.46
BDBM197100
Inchi KeyAFRYPGHDTPQVRQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H31N5O4/c1-15(14-28-2)23-9-11-25(12-10-23)20(27)29-17-5-7-24(8-6-17)18-4-3-16(13-22-18)19(21)26/h3-4,13,15,17H,5-12,14H2,1-2H3,(H2,21,26)
PubChem CID89487682
ChEMBLCHEMBL3935833
IUPHARN/A
BindingDB197100
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
536043Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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