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Ligand

NameCHEMBL1222596
Molecular formulaC28H32N8O
IUPAC name1-[(1-benzyltetrazol-5-yl)-(4-pyrimidin-2-yloxyphenyl)methyl]-4-cyclobutyl-1,4-diazepane
Molecular weight496.619
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50325097
SCHEMBL4202088
1-((1-benzyl-1H-tetrazol-5-yl)(4-(pyrimidin-2-yloxy)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
Inchi KeyACYKVZCVPYZMEC-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H32N8O/c1-2-7-22(8-3-1)21-36-27(31-32-33-36)26(35-18-6-17-34(19-20-35)24-9-4-10-24)23-11-13-25(14-12-23)37-28-29-15-5-16-30-28/h1-3,5,7-8,11-16,24,26H,4,6,9-10,17-21H2
PubChem CID44158482
ChEMBLCHEMBL1222596
IUPHARN/A
BindingDB50325097
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
2031Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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