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Ligand

NameCHEMBL574534
Molecular formulaC62H70N12O4
IUPAC nameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[1-[[4-[4-[[4-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]benzamide
Molecular weight1047.32
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP8.8
Synonyms4,4'-[(Biphenyl-4,4'-diyl)bis[methylene(1H-1,2,3-triazole-1,4-diyl)]]bis[N-[4-[4-(2-methoxyphenyl)piperazino]butyl]benzamide]
4,4''-[Biphenyl-4,4''-diylbis(methylene-1H-1,2,3-triazole-1,4-diyl)]bis(N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}benzamide)
BDBM50299412
Inchi KeyKEOJOHYWCQCCER-UHFFFAOYSA-N
Inchi IDInChI=1S/C62H70N12O4/c1-77-59-13-5-3-11-57(59)71-39-35-69(36-40-71)33-9-7-31-63-61(75)53-27-23-51(24-28-53)55-45-73(67-65-55)43-47-15-19-49(20-16-47)50-21-17-48(18-22-50)44-74-46-56(66-68-74)52-25-29-54(30-26-52)62(76)64-32-8-10-34-70-37-41-72(42-38-70)58-12-4-6-14-60(58)78-2/h3-6,11-30,45-46H,7-10,31-44H2,1-2H3,(H,63,75)(H,64,76)
PubChem CID45483655
ChEMBLCHEMBL574534
IUPHARN/A
BindingDB50299412
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1672705-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
167273D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
167271D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
167272D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
526268D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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