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Ligand

NameCHEMBL240116
Molecular formulaC33H40N4O
IUPAC name1-[[4-(3-cyanophenyl)phenyl]methyl]-1-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethyl]-3-propan-2-ylurea
Molecular weight508.71
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.2
Synonyms1-(3''-cyano-4-biphenylmethyl)-3-isopropyl-1-{2-[1-(4-methylbenzyl)-4-piperidinyl]ethyl}urea
BDBM50209702
Inchi KeyAKAAKXSPGNFTCK-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H40N4O/c1-25(2)35-33(38)37(24-29-11-13-31(14-12-29)32-6-4-5-30(21-32)22-34)20-17-27-15-18-36(19-16-27)23-28-9-7-26(3)8-10-28/h4-14,21,25,27H,15-20,23-24H2,1-3H3,(H,35,38)
PubChem CID44437519
ChEMBLCHEMBL240116
IUPHARN/A
BindingDB50209702
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
7371Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
7370Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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