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Ligand

NameCHEMBL277537
Molecular formulaC14H16N4O4
IUPAC name3-(1H-imidazol-5-yl)propyl N-[(3-nitrophenyl)methyl]carbamate
Molecular weight304.306
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.8
Synonyms(3-Nitro-benzyl)-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
BDBM50051193
3-Nitrobenzylcarbamic acid 3-(1H-imidazol-4-yl)propyl ester
Inchi KeyJEGKJVGFTGBOQM-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H16N4O4/c19-14(22-6-2-4-12-9-15-10-17-12)16-8-11-3-1-5-13(7-11)18(20)21/h1,3,5,7,9-10H,2,4,6,8H2,(H,15,17)(H,16,19)
PubChem CID10852027
ChEMBLCHEMBL277537
IUPHARN/A
BindingDB50051193
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
148813Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
148814Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359
148815Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445
148816Histamine H3 receptorP58406Hrh3Mus musculus (Mouse)445

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