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Ligand

NameCHEMBL1209788
Molecular formulaC33H38ClF2N3O3
IUPAC name2-[(1S)-5-chloro-1'-[(3S,4R)-4-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine-3-carbonyl]-6-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]-2-methylpropanenitrile
Molecular weight598.132
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.8
SynonymsBDBM50323441
2-((S)-6-chloro-1''-((3S,4R)-4-(2,4-difluorophenyl)-1-(tetrahydro-2H-pyran-4-yl)pyrrolidine-3-carbonyl)-5-methyl-3H-spiro[isobenzofuran-1,4''-piperidine]-3-yl)-2-methylpropanenitrile
Inchi KeyBCFFSQJVHOEAAU-MWSYKCOMSA-N
Inchi IDInChI=1S/C33H38ClF2N3O3/c1-20-14-24-27(16-28(20)34)33(42-30(24)32(2,3)19-37)8-10-38(11-9-33)31(40)26-18-39(22-6-12-41-13-7-22)17-25(26)23-5-4-21(35)15-29(23)36/h4-5,14-16,22,25-26,30H,6-13,17-18H2,1-3H3/t25-,26+,30-/m0/s1
PubChem CID46919520
ChEMBLCHEMBL1209788
IUPHARN/A
BindingDB50323441
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20119Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
20120Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
20123Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
20124Melanocortin receptor 4P70596Mc4rRattus norvegicus (Rat)332
20122Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
20121Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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