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Ligand

NameCHEMBL1079553
Molecular formulaC13H23N3O2
IUPAC name3-(1H-imidazol-5-yl)propyl N-[(2R)-hexan-2-yl]carbamate
Molecular weight253.346
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM50311771
((R)-1-Methyl-pentyl)-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester; compound with (E)-but-2-enedioic acid
ZINC13793892
(R)-3-(1H-imidazol-4-yl)propyl hexan-2-ylcarbamate
[(1R)-1-Methylpentyl]carbamic acid 3-(1H-imidazole-4-yl)propyl ester
[ Show all ]
Inchi KeyBOAJEIFQZOFOCK-LLVKDONJSA-N
Inchi IDInChI=1S/C13H23N3O2/c1-3-4-6-11(2)16-13(17)18-8-5-7-12-9-14-10-15-12/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)/t11-/m1/s1
PubChem CID10777275
ChEMBLCHEMBL1079553
IUPHARN/A
BindingDB50074080, 50311771
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
28587Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
28588Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445
28589Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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