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Ligand

NameCHEMBL33996
Molecular formulaC13H15N5O2
IUPAC name(E)-1-N-methyl-1-N'-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-nitroethene-1,1-diamine
Molecular weight273.296
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.8
SynonymsBDBM50404957
Inchi KeyAHTVWBASZDVUGP-KPKJPENVSA-N
Inchi IDInChI=1S/C13H15N5O2/c1-9-13(16-8-15-9)10-4-3-5-11(6-10)17-12(14-2)7-18(19)20/h3-8,14,17H,1-2H3,(H,15,16)/b12-7+
PubChem CID44280956
ChEMBLCHEMBL33996
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
5885Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359

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