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Ligand

NameCHEMBL209754
Molecular formulaC34H35F4N5
IUPAC name3-[4-[6-[2-(diethylamino)ethyl]-2-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzonitrile
Molecular weight589.683
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP7.1
SynonymsBDBM50186835
4''-[6-(2-diethylamino-ethyl)-1-(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2-yl)-6-aza-spiro[2.5]oct-1-yl]-biphenyl-3-carbonitrile
Inchi KeyHTKIJSNZEHJCRA-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H35F4N5/c1-3-42(4-2)16-17-43-14-12-32(13-15-43)22-33(32,26-10-8-24(9-11-26)25-7-5-6-23(18-25)21-39)31-40-29-19-27(34(36,37)38)28(35)20-30(29)41-31/h5-11,18-20H,3-4,12-17,22H2,1-2H3,(H,40,41)
PubChem CID44413475
ChEMBLCHEMBL209754
IUPHARN/A
BindingDB50186835
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
123561Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
123560Melanin-concentrating hormone receptor 2Q969V1MCHR2Homo sapiens (Human)340

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