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Ligand

NameCHEMBL2205813
Molecular formulaC21H25NO3
IUPAC name5-[2-(2,3-dimethoxyphenyl)ethyl]-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol
Molecular weight339.435
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50401368
Inchi KeyFOTUXOOYRRRHFQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25NO3/c1-24-12-5-3-4-9(20(12)25-2)6-7-22-19-15-10-8-11-14-13(10)16(19)18(14)21(22,23)17(11)15/h3-5,10-11,13-19,23H,6-8H2,1-2H3
PubChem CID71463061
ChEMBLCHEMBL2205813
IUPHARN/A
BindingDB50401368
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: 36
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
836185-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
836255-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
836355-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
836175-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
836165-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
836315-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
836265-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
836245-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
836415-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
836285-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
83638Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
83621Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
83610Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
83623Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
83636Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
83640Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
83613Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
83629Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
83630Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
83632D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446

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