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Ligand

NameCHEMBL1771110
Molecular formulaC28H33N3O2S
IUPAC name2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-thiophen-2-yl-3,4-dihydroisoquinolin-1-one
Molecular weight475.651
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.1
SynonymsBDBM50342704
3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl]-6-(2-thienyl)isoquinolin-1(2H)-one
Inchi KeyAMJCGARHMZJBKQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H33N3O2S/c1-33-26-8-3-2-7-25(26)30-18-16-29(17-19-30)13-4-5-14-31-15-12-22-21-23(27-9-6-20-34-27)10-11-24(22)28(31)32/h2-3,6-11,20-21H,4-5,12-19H2,1H3
PubChem CID46893146
ChEMBLCHEMBL1771110
IUPHARN/A
BindingDB50342704
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
89405-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
8939D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
8938D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
8937D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
521710D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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