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Ligand

NameCHEMBL426216
Molecular formulaC21H34ClN5O2
IUPAC name4-amino-N-[1-[[1-(2-aminoethyl)piperidin-4-yl]methyl]piperidin-4-yl]-5-chloro-2-methoxybenzamide
Molecular weight423.986
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP1.6
SynonymsBDBM50112036
N-[1-[1-(2-Aminoethyl)piperidine-4-ylmethyl]piperidine-4-yl]-2-methoxy-4-amino-5-chlorobenzamide
4-Amino-N-{1-[1-(2-amino-ethyl)-piperidin-4-ylmethyl]-piperidin-4-yl}-5-chloro-2-methoxy-benzamide
Inchi KeyDCUVLBUVWCWEND-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H34ClN5O2/c1-29-20-13-19(24)18(22)12-17(20)21(28)25-16-4-9-27(10-5-16)14-15-2-7-26(8-3-15)11-6-23/h12-13,15-16H,2-11,14,23-24H2,1H3,(H,25,28)
PubChem CID44386218
ChEMBLCHEMBL426216
IUPHARN/A
BindingDB50112036
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
567505-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388

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