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Ligand

NameCHEMBL392013
Molecular formulaC36H47N3O4
IUPAC name[2-[[[4-(2-methoxyphenyl)phenyl]methyl-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethyl]carbamoyl]amino]-2-methylpropyl] acetate
Molecular weight585.789
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM50209689
3-[1-(acetyloxymethyl)-1-methylethyl]-1-(2''-methoxy-4-biphenylmethyl)-1-{2-[1-(4-methylbenzyl)-4-piperidinyl]ethyl}urea
Inchi KeyAMKLSCYIZASEGV-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H47N3O4/c1-27-10-12-30(13-11-27)24-38-21-18-29(19-22-38)20-23-39(35(41)37-36(3,4)26-43-28(2)40)25-31-14-16-32(17-15-31)33-8-6-7-9-34(33)42-5/h6-17,29H,18-26H2,1-5H3,(H,37,41)
PubChem CID44437524
ChEMBLCHEMBL392013
IUPHARN/A
BindingDB50209689
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
8988Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
8987Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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