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Ligand

NameCHEMBL263686
Molecular formulaC36H47F3N3O+
IUPAC nameN-[2-(1-azoniabicyclo[2.2.2]octan-1-yl)quinolin-6-yl]-13-[4-(trifluoromethyl)phenyl]tridecanamide
Molecular weight594.787
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP10.5
SynonymsBDBM50193678
1-(6-{13-[4-(trifluoromethyl)phenyl]tridecanamido}quinolin-2-yl)-1-azabicyclo[2.2.2]octan-1-ylium
Inchi KeyDHGGHSPKBKPGOG-UHFFFAOYSA-O
Inchi IDInChI=1S/C36H46F3N3O/c37-36(38,39)31-16-13-28(14-17-31)11-9-7-5-3-1-2-4-6-8-10-12-35(43)40-32-18-19-33-30(27-32)15-20-34(41-33)42-24-21-29(22-25-42)23-26-42/h13-20,27,29H,1-12,21-26H2/p+1
PubChem CID44417956
ChEMBLCHEMBL263686
IUPHARN/A
BindingDB50193678
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
59962Melanin-concentrating hormone receptor 1P97639Mchr1Rattus norvegicus (Rat)353
59963Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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