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Ligand

NameTHIQ
Molecular formulaC33H41ClN6O2
IUPAC name(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight589.181
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.9
Synonyms312637-48-2
CHEMBL339053
3-IsoquinolinecarboxaMide,N-[(1R)-1-[(4-chlorophenyl)Methyl]-2-[4-cyclohexyl-4-(1H-1,2,4-triazol-1-ylMethyl)-1-piperidinyl]-2-oxoethyl]-1,2,3,4-tetrahydro-,(3R)-
GTPL1338
SCHEMBL1920108
[ Show all ]
Inchi KeyHLCHESOMJVGDSJ-LOYHVIPDSA-N
Inchi IDInChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1
PubChem CID9938402
ChEMBLCHEMBL339053
IUPHAR1338
BindingDB50119368
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
117736Adrenocorticotropic hormone receptorQ64326Mc2rMus musculus (Mouse)296
117735Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
117741Melanocortin receptor 3P32244Mc3rRattus norvegicus (Rat)323
117737Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
117739Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
117743Melanocortin receptor 4P70596Mc4rRattus norvegicus (Rat)332
117738Melanocortin receptor 5P35345Mc5rRattus norvegicus (Rat)325
117740Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
117742Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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