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Ligand

NameCHEMBL25126
Molecular formulaC26H34N2O3
IUPAC name[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methanone
Molecular weight422.569
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50222962
Inchi KeyBCJPDCQDUPNYGF-SFTDATJTSA-N
Inchi IDInChI=1S/C26H34N2O3/c1-20-4-5-21(2)28(20)26(29)24-8-6-22(7-9-24)23-10-12-25(13-11-23)31-17-3-14-27-15-18-30-19-16-27/h6-13,20-21H,3-5,14-19H2,1-2H3/t20-,21-/m0/s1
PubChem CID44275530
ChEMBLCHEMBL25126
IUPHARN/A
BindingDB50222962
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
20261Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
20262Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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