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Ligand

NameCHEMBL2153555
Molecular formulaC19H22ClNO5
IUPAC nameN-[[(3S)-5-chloro-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2,6-dimethoxyphenoxy)ethanamine
Molecular weight379.837
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50392643
CHEMBL2220895
Inchi KeyCQFKZCAKNRCPDY-ZDUSSCGKSA-N
Inchi IDInChI=1S/C19H22ClNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1
PubChem CID71462043
ChEMBLN/A
IUPHARN/A
BindingDB50392643
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
480285-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
48024Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
48029Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
48025Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
48026Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
48023Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
48027Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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