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Ligand

NameCHEMBL1928121
Molecular formulaC50H68N6O9
IUPAC nameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-[2-[2-[2-[2-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide
Molecular weight897.127
Hydrogen bond acceptor13
Hydrogen bond donor2
XlogP5.6
SynonymsBDBM50359762
Inchi KeyHFOIDKHQFBQZMF-UHFFFAOYSA-N
Inchi IDInChI=1S/C50H68N6O9/c1-59-47-17-5-3-15-45(47)55-27-23-53(24-28-55)21-9-19-51-49(57)41-11-7-13-43(39-41)64-37-35-62-33-31-61-32-34-63-36-38-65-44-14-8-12-42(40-44)50(58)52-20-10-22-54-25-29-56(30-26-54)46-16-4-6-18-48(46)60-2/h3-8,11-18,39-40H,9-10,19-38H2,1-2H3,(H,51,57)(H,52,58)
PubChem CID56837636
ChEMBLCHEMBL1928121
IUPHARN/A
BindingDB50359762
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
113615D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
113614D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
113616D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
524792D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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