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Ligand

NameCHEMBL2436629
Molecular formulaC25H32FN5O
IUPAC name[1-[(2-aminopyridin-4-yl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone
Molecular weight437.563
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.2
SynonymsBDBM50441502
SCHEMBL12533162
Inchi KeyBYPZYWWDUSSBJF-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H32FN5O/c26-25(8-13-29(14-9-25)16-19-5-10-28-23(27)15-19)24(32)30-11-6-22(7-12-30)31-17-20-3-1-2-4-21(20)18-31/h1-5,10,15,22H,6-9,11-14,16-18H2,(H2,27,28)
PubChem CID44622417
ChEMBLCHEMBL2436629
IUPHARN/A
BindingDB50441502
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
35993Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
35994Histamine H3 receptorP58406Hrh3Mus musculus (Mouse)445

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