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Ligand

NameCHEMBL423473
Molecular formulaC15H17IN2O2
IUPAC name3-(1H-imidazol-5-yl)propyl 3-(4-iodophenyl)propanoate
Molecular weight384.217
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50050168
SCHEMBL8104619
4-Iodobenzenepropionic acid 3-(1H-imidazol-4-yl)propyl ester
ZINC13747354
3-(4-Iodo-phenyl)-propionic acid 3-(1H-imidazol-4-yl)-propyl ester
Inchi KeyASQUEGTXNJDXRT-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H17IN2O2/c16-13-6-3-12(4-7-13)5-8-15(19)20-9-1-2-14-10-17-11-18-14/h3-4,6-7,10-11H,1-2,5,8-9H2,(H,17,18)
PubChem CID10620015
ChEMBLCHEMBL423473
IUPHARN/A
BindingDB50050168
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
13441Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
13440Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359
13439Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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