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Ligand

NameCHEMBL3287723
Molecular formulaC25H32O7
IUPAC name3-[4-[4-(3,3-dimethylbutanoyl)-3-hydroxy-2-methylphenoxy]butoxy]-4-methoxybenzoic acid
Molecular weight444.524
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.7
SynonymsBDBM50017268
SCHEMBL17164270
Inchi KeyAOYJKNKRKBOUAP-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H32O7/c1-16-20(11-9-18(23(16)27)19(26)15-25(2,3)4)31-12-6-7-13-32-22-14-17(24(28)29)8-10-21(22)30-5/h8-11,14,27H,6-7,12-13,15H2,1-5H3,(H,28,29)
PubChem CID90643887
ChEMBLCHEMBL3287723
IUPHARN/A
BindingDB50017268
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: 39
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
107305-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
107335-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
107255-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
107365-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
107395-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
107265-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
107345-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
107165-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
107245-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
107325-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
10737Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
10729Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
10727Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
10743Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
10723Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
10738Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
10719Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
10718Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
10731Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
10713D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446

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