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Ligand

NameCHEMBL368876
Molecular formulaC31H48FN5O3
IUPAC name(2S)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methylpiperazine-2-carboxamide
Molecular weight557.755
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.9
Synonyms(2S)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methylpiperazine-2-carboxamide
(S)-4-Methyl-piperazine-2-carboxylic acid [(R)-2-(4-tert-butylcarbamoyl-4-cyclohexyl-piperidin-1-yl)-1-(4-fluoro-benzyl)-2-oxo-ethyl]-amide
AC1OCFWW
BDBM50157314
MB-243
[ Show all ]
Inchi KeyYDGSHFJUSTYFRE-FTJBHMTQSA-N
Inchi IDInChI=1S/C31H48FN5O3/c1-30(2,3)35-29(40)31(23-8-6-5-7-9-23)14-17-37(18-15-31)28(39)25(20-22-10-12-24(32)13-11-22)34-27(38)26-21-36(4)19-16-33-26/h10-13,23,25-26,33H,5-9,14-21H2,1-4H3,(H,34,38)(H,35,40)/t25-,26+/m1/s1
PubChem CID6918813
ChEMBLCHEMBL368876
IUPHARN/A
BindingDB50157314
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
407243Melanocortin receptor 3P32244Mc3rRattus norvegicus (Rat)323
407246Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
407245Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
407247Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
407248Melanocortin receptor 4P70596Mc4rRattus norvegicus (Rat)332
407244Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
407242Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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