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Ligand

NameCHEMBL3986651
Molecular formulaC22H28N2O3
IUPAC name(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]morpholine
Molecular weight368.477
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.4
SynonymsSCHEMBL14061752
ROKNCKQMECSPFV-NRFANRHFSA-N
BDBM186937
US9079895, 25s
(S)-4-(2-(Indolin-1-yl)ethyl)-2-((3-methoxyphenoxy)methyl)morpholine
Inchi KeyROKNCKQMECSPFV-NRFANRHFSA-N
Inchi IDInChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1
PubChem CID71062708
ChEMBLCHEMBL3986651
IUPHARN/A
BindingDB186937
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: 12
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5441145-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
5441125-hydroxytryptamine receptor 1DQ61224Htr1dMus musculus (Mouse)374
5441095-hydroxytryptamine receptor 2AP35363Htr2aMus musculus (Mouse)471
5441085-hydroxytryptamine receptor 2BQ02152Htr2bMus musculus (Mouse)479
5441175-hydroxytryptamine receptor 2CP34968Htr2cMus musculus (Mouse)459
544107Alpha-1A adrenergic receptorP97718Adra1aMus musculus (Mouse)466
544116Alpha-1D adrenergic receptorP97714Adra1dMus musculus (Mouse)562
544115D(1A) dopamine receptorQ61616Drd1Mus musculus (Mouse)446
544110D(1B) dopamine receptorQ8BLD9Drd5Mus musculus (Mouse)478
544118D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444
544113D(3) dopamine receptorP30728Drd3Mus musculus (Mouse)446
544111D(4) dopamine receptorP51436Drd4Mus musculus (Mouse)387

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