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Ligand

NameCHEMBL304591
Molecular formulaC32H36N4O5
IUPAC name2-(4-methoxyphenyl)-1,3-dioxo-N-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-5-carboxamide
Molecular weight556.663
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50088398
N-[3-[4-(2-Isopropoxyphenyl)piperazino]propyl]-2-(4-methoxyphenyl)-1,3-dioxoisoindoline-5-carboxamide
2-(4-Methoxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid {3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-propyl}-amide
Inchi KeyMVYCXEXQTMBCNB-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H36N4O5/c1-22(2)41-29-8-5-4-7-28(29)35-19-17-34(18-20-35)16-6-15-33-30(37)23-9-14-26-27(21-23)32(39)36(31(26)38)24-10-12-25(40-3)13-11-24/h4-5,7-14,21-22H,6,15-20H2,1-3H3,(H,33,37)
PubChem CID10578715
ChEMBLCHEMBL304591
IUPHARN/A
BindingDB50088398
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
2155955-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2155985-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
215597Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
215596Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
215590Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
215592Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
215594Alpha-2B adrenergic receptorP19328Adra2bRattus norvegicus (Rat)453
215591Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
215588D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
215587D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
215593D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
215589Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488

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