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Ligand

NameCHEMBL2436625
Molecular formulaC28H38FN5O2
IUPAC name[1-[(2-aminopyridin-4-yl)methyl]-4-fluoropiperidin-4-yl]-[4-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)piperidin-1-yl]methanone
Molecular weight495.643
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50441506
SCHEMBL12549790
Inchi KeyBMWUIIPULBWCPO-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H38FN5O2/c1-36-25-5-4-23-20-34(12-2-3-22(23)18-25)24-7-13-33(14-8-24)27(35)28(29)9-15-32(16-10-28)19-21-6-11-31-26(30)17-21/h4-6,11,17-18,24H,2-3,7-10,12-16,19-20H2,1H3,(H2,30,31)
PubChem CID44622341
ChEMBLCHEMBL2436625
IUPHARN/A
BindingDB50441506
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
27839Histamine H3 receptorP58406Hrh3Mus musculus (Mouse)445
27840Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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