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Ligand

NameCHEMBL244946
Molecular formulaC31H35N7S
IUPAC name7-(2,5-dimethylpyrazol-3-yl)-3-[3-[[4-methyl-5-(2-methylquinolin-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1,2,4,5-tetrahydro-3-benzazepine
Molecular weight537.73
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.4
SynonymsBDBM50411402
1H-3-Benzazepine,7-(1,3-dimethyl-1H-pyrazol-5-yl)-2,3,4,5-tetrahydro-3-[3-[[4-methyl-5-(2-methyl-5-quinolinyl)-4H-1,2,4-triazol-3-yl]thio]propyl]-
KB-65128
7-(1,3-dimethyl-1H-pyrazol-5-yl)-3-(3-{[4-methyl-5-(2-methyl-5-quinolinyl)-4H-1,2,4-triazol-3-yl]thio}propyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
3-[3-[7-(1,3-Dimethyl-1H-pyrazole-5-yl)-2,3,4,5-tetrahydro-1H-3-benzoazepine-3-yl]propylthio]-4-methyl-5-(2-methyl-5-quinolyl)-4H-1,2,4-triazole
[ Show all ]
Inchi KeyWIHMMKGUBDZGEG-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H35N7S/c1-21-9-12-26-27(7-5-8-28(26)32-21)30-33-34-31(36(30)3)39-18-6-15-38-16-13-23-10-11-25(20-24(23)14-17-38)29-19-22(2)35-37(29)4/h5,7-12,19-20H,6,13-18H2,1-4H3
PubChem CID11584660
ChEMBLCHEMBL244946
IUPHARN/A
BindingDB50411402
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 42
Page:  / 3 

GLASS IDNameUniProtGeneSpeciesLength
3740725-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
3740735-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
3740815-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
3740785-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
3740825-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
3740655-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388
3740805-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
3740695-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
3740685-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
374063Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
374044Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
374062Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
374056Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
374079Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
374059Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
374076Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
374051Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
374060Alpha-2B adrenergic receptorP19328Adra2bRattus norvegicus (Rat)453
374083Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
374070Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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