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Ligand

NameCHEMBL545198
Molecular formulaC23H26N2O4
IUPAC name2-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]isoindole-1,3-dione
Molecular weight394.471
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.6
SynonymsCHEMBL264212
SCHEMBL9305322
IWAURPBNJCOTMU-UHFFFAOYSA-N
BDBM50036845
LS-84565
[ Show all ]
Inchi KeyIWAURPBNJCOTMU-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N2O4/c1-3-11-24(16-14-19-20(28-2)9-6-10-21(19)29-15-16)12-13-25-22(26)17-7-4-5-8-18(17)23(25)27/h4-10,16H,3,11-15H2,1-2H3
PubChem CID9977937
ChEMBLCHEMBL264212
IUPHARN/A
BindingDB50036845
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1431465-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
1431525-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
1431515-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
143147Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
143148Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452
143150D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
143149D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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