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Ligand

NameCHEMBL277227
Molecular formulaC14H15IN2O2
IUPAC name3-(1H-imidazol-5-yl)propyl 2-(4-iodophenyl)acetate
Molecular weight370.19
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50050169
SCHEMBL8107511
(4-Iodo-phenyl)-acetic acid 3-(1H-imidazol-4-yl)-propyl ester
ZINC13747352
Inchi KeyAVMKSITYPIVSLI-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H15IN2O2/c15-12-5-3-11(4-6-12)8-14(18)19-7-1-2-13-9-16-10-17-13/h3-6,9-10H,1-2,7-8H2,(H,16,17)
PubChem CID10809147
ChEMBLCHEMBL277227
IUPHARN/A
BindingDB50050169
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
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GLASS IDNameUniProtGeneSpeciesLength
15411Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
15412Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359
15410Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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