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Ligand

NameCHEMBL70095
Molecular formulaC33H38N4O7
IUPAC name2-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide
Molecular weight602.688
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50088400
N-[2-Hydroxy-3-[4-(2-isopropoxyphenyl)piperazino]propyl]-2-(3,4-dimethoxyphenyl)-1,3-dioxoisoindoline-5-carboxamide
2-(3,4-Dimethoxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid {2-hydroxy-3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-propyl}-amide
Inchi KeyAVHKKQNVOUECLU-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H38N4O7/c1-21(2)44-28-8-6-5-7-27(28)36-15-13-35(14-16-36)20-24(38)19-34-31(39)22-9-11-25-26(17-22)33(41)37(32(25)40)23-10-12-29(42-3)30(18-23)43-4/h5-12,17-18,21,24,38H,13-16,19-20H2,1-4H3,(H,34,39)
PubChem CID10793720
ChEMBLCHEMBL70095
IUPHARN/A
BindingDB50088400
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15297Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
15298Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
15296Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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