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Ligand

NameCHEMBL3956749
Molecular formulaC22H27N3O3
IUPAC name1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(2R)-2-[(2-methylpyridin-3-yl)oxymethyl]morpholin-4-yl]ethanone
Molecular weight381.476
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.5
SynonymsN/A
Inchi KeyCOXVGVOSFMXIOC-QFBILLFUSA-N
Inchi IDInChI=1S/C22H27N3O3/c1-16-12-18-6-3-4-7-20(18)25(16)22(26)14-24-10-11-27-19(13-24)15-28-21-8-5-9-23-17(21)2/h3-9,16,19H,10-15H2,1-2H3/t16-,19+/m0/s1
PubChem CID134144489
ChEMBLCHEMBL3956749
IUPHARN/A
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5484275-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
548426Alpha-1D adrenergic receptorP97714Adra1dMus musculus (Mouse)562
548428D(1A) dopamine receptorQ61616Drd1Mus musculus (Mouse)446

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