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Ligand

NameCHEMBL467586
Molecular formulaC28H38Cl2N4O3
IUPAC nameN-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chloro-2-methoxyphenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide
Molecular weight549.537
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.1
SynonymsBDBM50261228
1-{2-[(1S)-(Methylaminoacetamido)-2-methylpropyl]-4-chlorophenyl}-4-[(2R)-methyl-3-(2-methoxy-4-dichlorophenyl)propionyl]piperazine
Inchi KeyCETOWTIWZXCWLA-WINIVTDRSA-N
Inchi IDInChI=1S/C28H38Cl2N4O3/c1-18(2)27(32-26(35)17-31-4)23-15-21(29)8-9-24(23)33-10-12-34(13-11-33)28(36)19(3)14-20-6-7-22(30)16-25(20)37-5/h6-9,15-16,18-19,27,31H,10-14,17H2,1-5H3,(H,32,35)/t19-,27+/m1/s1
PubChem CID44577092
ChEMBLCHEMBL467586
IUPHARN/A
BindingDB50261228
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
40254Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
40253Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
40252Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
40255Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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