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Ligand

NameCHEMBL127400
Molecular formulaC25H30N4O2
IUPAC nameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
Molecular weight418.541
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50131926
Isoquinoline-3-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
Inchi KeyINDXRHKLECFZHX-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N4O2/c1-31-24-11-5-4-10-23(24)29-16-14-28(15-17-29)13-7-6-12-26-25(30)22-18-20-8-2-3-9-21(20)19-27-22/h2-5,8-11,18-19H,6-7,12-17H2,1H3,(H,26,30)
PubChem CID10895039
ChEMBLCHEMBL127400
IUPHARN/A
BindingDB50131926
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1371595-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
137161Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
137156Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
137160D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
137154D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
137157D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
137155D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
137158D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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