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Ligand

NameAC-42
Molecular formulaC20H31NO
IUPAC name4-(4-butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
Molecular weight301.474
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP5.2
SynonymsCHEMBL1242950
4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one
AC42
D00REH
D0T2RY
[ Show all ]
Inchi KeyANTKBACNWQHQJE-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
PubChem CID9948320
ChEMBLCHEMBL1242950
IUPHAR289
BindingDB50326219
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: 40
Page:  / 3 

GLASS IDNameUniProtGeneSpeciesLength
98885-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
98805-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
98835-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
98815-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
98755-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
98615-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388
98795-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
9872Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
9887Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
442090Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
9859Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
9877Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
9871Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
9852Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
9860Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
9856Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
9876Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
9870Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
9863D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
9874D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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