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Ligand

NameCHEMBL37170
Molecular formulaC22H27N3O
IUPAC name(3S)-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
Molecular weight349.478
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.5
Synonyms(S)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one
(S)-PD-172938
3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one (PD-18126)
BDBM50070514
D0P7OB
[ Show all ]
Inchi KeyWQEPZBNLBWDIRZ-NRFANRHFSA-N
Inchi IDInChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m0/s1
PubChem CID9798466
ChEMBLCHEMBL37170
IUPHARN/A
BindingDB50070514
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3796395-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
3796385-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
379636Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
379635Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
379640D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
379637D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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