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Ligand

NameCHEMBL377843
Molecular formulaC32H28F4N4
IUPAC name3-[4-[6-(cyclopropylmethyl)-2-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzonitrile
Molecular weight544.598
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP7.1
SynonymsBDBM50186834
SCHEMBL14502088
4''-[6-cyclopropylmethyl-1-(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2-yl)-6-aza-spiro[2.5]oct-1-yl]-biphenyl-3-carbonitrile
Inchi KeyLDNCQUAOPIRLNF-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H28F4N4/c33-26-16-28-27(15-25(26)32(34,35)36)38-29(39-28)31(19-30(31)10-12-40(13-11-30)18-20-4-5-20)24-8-6-22(7-9-24)23-3-1-2-21(14-23)17-37/h1-3,6-9,14-16,20H,4-5,10-13,18-19H2,(H,38,39)
PubChem CID11635274
ChEMBLCHEMBL377843
IUPHARN/A
BindingDB50186834
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
184752Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353
184753Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
184754Melanin-concentrating hormone receptor 2Q969V1MCHR2Homo sapiens (Human)340

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