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Ligand

NameCHEMBL431362
Molecular formulaC32H36N4O5
IUPAC nameN-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
Molecular weight556.663
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50088416
N-[(S)-2-Hydroxy-3-[4-(2-isopropoxyphenyl)piperazino]propyl]-2-(4-methylphenyl)-1,3-dioxoisoindoline-5-carboxamide
1,3-Dioxo-2-p-tolyl-2,3-dihydro-1H-isoindole-5-carboxylic acid {2-hydroxy-3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-propyl}-amide
Inchi KeyIQRXOCGLSGCNLE-VWLOTQADSA-N
Inchi IDInChI=1S/C32H36N4O5/c1-21(2)41-29-7-5-4-6-28(29)35-16-14-34(15-17-35)20-25(37)19-33-30(38)23-10-13-26-27(18-23)32(40)36(31(26)39)24-11-8-22(3)9-12-24/h4-13,18,21,25,37H,14-17,19-20H2,1-3H3,(H,33,38)/t25-/m0/s1
PubChem CID10792897
ChEMBLCHEMBL431362
IUPHARN/A
BindingDB50088416
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 12
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1395855-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1395865-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
139589Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
139584Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
139583Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
139579Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
139588Alpha-2B adrenergic receptorP19328Adra2bRattus norvegicus (Rat)453
139578Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
139581D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
139587D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
139582D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
139580Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488

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