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Ligand

NameCHEMBL309106
Molecular formulaC33H39N5O5
IUPAC name2-[4-(dimethylamino)phenyl]-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide
Molecular weight585.705
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50088394
RWJ-69442
2-(4-Dimethylamino-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid {2-hydroxy-3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-propyl}-amide
SCHEMBL6585005
Inchi KeyLQTJOPPTSIYEES-SANMLTNESA-N
Inchi IDInChI=1S/C33H39N5O5/c1-22(2)43-30-8-6-5-7-29(30)37-17-15-36(16-18-37)21-26(39)20-34-31(40)23-9-14-27-28(19-23)33(42)38(32(27)41)25-12-10-24(11-13-25)35(3)4/h5-14,19,22,26,39H,15-18,20-21H2,1-4H3,(H,34,40)/t26-/m0/s1
PubChem CID9894665
ChEMBLCHEMBL309106
IUPHARN/A
BindingDB50088394
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 14
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1941505-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1941495-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
194147Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
194144Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
194151Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
194154Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
194143Alpha-2B adrenergic receptorP19328Adra2bRattus norvegicus (Rat)453
194155Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
194152Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
194142D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
194146D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
194148D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
194145Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
194153Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488

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