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Ligand

NameCHEMBL340641
Molecular formulaC24H26Cl2N4O
IUPAC nameN-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
Molecular weight457.399
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50131921
Isoquinoline-3-carboxylic acid {4-[4-(2,4-dichloro-phenyl)-piperazin-1-yl]-butyl}-amide
Inchi KeyBJILZOKLMRTDFN-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26Cl2N4O/c25-20-7-8-23(21(26)16-20)30-13-11-29(12-14-30)10-4-3-9-27-24(31)22-15-18-5-1-2-6-19(18)17-28-22/h1-2,5-8,15-17H,3-4,9-14H2,(H,27,31)
PubChem CID11091738
ChEMBLCHEMBL340641
IUPHARN/A
BindingDB50131921
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
251475-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
25149Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
25150Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
25146D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
25151D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
25148D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446

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