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Ligand

NameCHEMBL279617
Molecular formulaC13H14N4O4
IUPAC name3-(1H-imidazol-5-yl)propyl N-(3-nitrophenyl)carbamate
Molecular weight290.279
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.8
Synonyms(3-Nitro-phenyl)-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
BDBM50051215
SCHEMBL7961200
3-Nitrophenylcarbamic acid 3-(1H-imidazol-4-yl)propyl ester
Inchi KeyIXZVARDZBBMVPA-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H14N4O4/c18-13(21-6-2-4-11-8-14-9-15-11)16-10-3-1-5-12(7-10)17(19)20/h1,3,5,7-9H,2,4,6H2,(H,14,15)(H,16,18)
PubChem CID10732219
ChEMBLCHEMBL279617
IUPHARN/A
BindingDB50051215
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: 4
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GLASS IDNameUniProtGeneSpeciesLength
144459Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
144458Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359
144456Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445
144457Histamine H3 receptorP58406Hrh3Mus musculus (Mouse)445

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