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Ligand

NameCHEMBL3597637
Molecular formulaC25H29ClN4O2
IUPAC nameN-[4-[4-(3-chloro-2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-carboxamide
Molecular weight452.983
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50104922
Inchi KeyAENWLGXTORARIE-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29ClN4O2/c1-32-24-21(26)8-6-10-23(24)30-15-13-29(14-16-30)12-5-4-11-27-25(31)20-17-19-7-2-3-9-22(19)28-18-20/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,27,31)
PubChem CID122183765
ChEMBLCHEMBL3597637
IUPHARN/A
BindingDB50104922
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4633315-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4633325-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
4633335-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
463329D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
463330D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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