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Ligand

NameCHEMBL21278
Molecular formulaC22H34N4O
IUPAC nameN'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylhexane-1,6-diamine
Molecular weight370.541
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.8
SynonymsSCHEMBL9574840
BDBM50404154
N-(4-Methoxybenzyl)-N-[2-[methyl(6-aminohexyl)amino]ethyl]pyridine-2-amine
N-[2-[N-(4-methoxybenzyl)-N-(2-pyridyl)amino]ethyl]-N-methyl-1,6-hexanediamine
AYEQNAFPDMJGOZ-UHFFFAOYSA-N
Inchi KeyAYEQNAFPDMJGOZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H34N4O/c1-25(16-8-4-3-6-14-23)17-18-26(22-9-5-7-15-24-22)19-20-10-12-21(27-2)13-11-20/h5,7,9-13,15H,3-4,6,8,14,16-19,23H2,1-2H3
PubChem CID19762600
ChEMBLCHEMBL21278
IUPHARN/A
BindingDB50404154
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
17386Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
17387Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488

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