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Ligand

NameCHEMBL1928132
Molecular formulaC62H92N6O13
IUPAC nameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide
Molecular weight1129.45
Hydrogen bond acceptor17
Hydrogen bond donor2
XlogP5.1
SynonymsBDBM50359749
Inchi KeyAMKQYZPSQCPQGB-UHFFFAOYSA-N
Inchi IDInChI=1S/C62H92N6O13/c1-71-59-13-5-3-11-57(59)67-31-27-65(28-32-67)25-9-7-23-63-61(69)55-19-15-53(16-20-55)51-80-49-47-78-45-43-76-41-39-74-37-35-73-36-38-75-40-42-77-44-46-79-48-50-81-52-54-17-21-56(22-18-54)62(70)64-24-8-10-26-66-29-33-68(34-30-66)58-12-4-6-14-60(58)72-2/h3-6,11-22H,7-10,23-52H2,1-2H3,(H,63,69)(H,64,70)
PubChem CID56837635
ChEMBLCHEMBL1928132
IUPHARN/A
BindingDB50359749
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8994D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
8996D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
8995D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
521711D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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