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Ligand

NameCHEMBL3318846
Molecular formulaC52H60Cl2F2N4O6
IUPAC name[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] 3-[4-[3-[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]oxy-3-oxopropyl]piperazin-1-yl]propanoate
Molecular weight945.971
Hydrogen bond acceptor12
Hydrogen bond donor0
XlogP8.3
SynonymsBDBM50053409
Inchi KeyBXOPFJXHIDYFEL-UHFFFAOYSA-N
Inchi IDInChI=1S/C52H60Cl2F2N4O6/c53-43-13-9-41(10-14-43)51(23-31-57(32-24-51)27-1-3-47(61)39-5-17-45(55)18-6-39)65-49(63)21-29-59-35-37-60(38-36-59)30-22-50(64)66-52(42-11-15-44(54)16-12-42)25-33-58(34-26-52)28-2-4-48(62)40-7-19-46(56)20-8-40/h5-20H,1-4,21-38H2
PubChem CID118709173
ChEMBLCHEMBL3318846
IUPHARN/A
BindingDB50053409
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
443081D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
443080D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
443078D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
443079D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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