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Ligand

NameCHEMBL396111
Molecular formulaC41H52ClN3O4
IUPAC nameN-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-[2-[(4-hydroxyphenyl)methyl]-1H-indol-3-yl]butanamide
Molecular weight686.334
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP8.4
SynonymsBDBM50217731
N-(2-chloro-4,5-dimethoxybenzyl)-4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)butanamide
Inchi KeyBIPSMDWSUSSJDS-UHFFFAOYSA-N
Inchi IDInChI=1S/C41H52ClN3O4/c1-48-39-24-30(36(42)25-40(39)49-2)26-45(32-18-12-28(13-19-32)22-27-10-16-31(43)17-11-27)41(47)9-5-7-35-34-6-3-4-8-37(34)44-38(35)23-29-14-20-33(46)21-15-29/h3-4,6,8,14-15,20-21,24-25,27-28,31-32,44,46H,5,7,9-13,16-19,22-23,26,43H2,1-2H3
PubChem CID44434763
ChEMBLCHEMBL396111
IUPHARN/A
BindingDB50217731
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
24645Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
24646Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
24643Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
24644Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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