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Ligand

NameCHEMBL1803025
Molecular formulaC58H80N10O6
IUPAC name1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
Molecular weight1013.34
Hydrogen bond acceptor14
Hydrogen bond donor0
XlogP10.0
SynonymsBDBM50347631
Inchi KeyCLZFBRKWSABTPJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C58H80N10O6/c1-69-53-23-13-11-21-51(53)65-35-31-63(32-36-65)43-47-25-27-55(57(41-47)71-3)73-39-17-19-49-45-67(61-59-49)29-15-9-7-5-6-8-10-16-30-68-46-50(60-62-68)20-18-40-74-56-28-26-48(42-58(56)72-4)44-64-33-37-66(38-34-64)52-22-12-14-24-54(52)70-2/h11-14,21-28,41-42,45-46H,5-10,15-20,29-40,43-44H2,1-4H3
PubChem CID53364154
ChEMBLCHEMBL1803025
IUPHARN/A
BindingDB50347631
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
45132D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
45131D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
45130D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
522840D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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