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Ligand

NameCHEMBL42231
Molecular formulaC27H31NO3
IUPAC name2-(2,6-dimethoxyphenoxy)-N-[(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
Molecular weight417.549
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50409688
Inchi KeyBJGAWQMDTQOSCU-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H31NO3/c1-29-25-13-8-14-26(30-2)27(25)31-16-15-28-19-20-17-22-11-6-7-12-23(22)24(18-20)21-9-4-3-5-10-21/h3-14,20,24,28H,15-19H2,1-2H3
PubChem CID44289261
ChEMBLCHEMBL42231
IUPHARN/A
BindingDB50409688
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
250545-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
25050Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
25051Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
25048Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
25053Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
25049Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
25052Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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