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Ligand

NameCHEMBL3361413
Molecular formulaC37H48N6O5
IUPAC nametert-butyl N-[N'-[3-[(4-anilino-1-benzylpiperidin-4-yl)methylcarbamoyl]phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
Molecular weight656.828
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP7.5
SynonymsBDBM50029114
Inchi KeyMFCNLNAJVNURNL-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H48N6O5/c1-35(2,3)47-33(45)40-32(41-34(46)48-36(4,5)6)39-30-19-13-16-28(24-30)31(44)38-26-37(42-29-17-11-8-12-18-29)20-22-43(23-21-37)25-27-14-9-7-10-15-27/h7-19,24,42H,20-23,25-26H2,1-6H3,(H,38,44)(H2,39,40,41,45,46)
PubChem CID136998789
ChEMBLCHEMBL3361413
IUPHARN/A
BindingDB50029114
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
449713Neuropeptide FF receptor 1Q9GZQ6NPFFR1Homo sapiens (Human)430
449712Neuropeptide FF receptor 2Q9Y5X5NPFFR2Homo sapiens (Human)522

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