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Ligand

NameA-846714
Molecular formulaC16H18N6
IUPAC name4-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile
Molecular weight294.362
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.5
SynonymsD08DOG
JMC516547 Compound 2
2-Aminopyrimidine analog., 4
CHEMBL494678
SCHEMBL2166660
[ Show all ]
Inchi KeyQFKQUMBUFVKQBH-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H18N6/c1-21-6-8-22(9-7-21)15-10-14(19-16(18)20-15)13-4-2-12(11-17)3-5-13/h2-5,10H,6-9H2,1H3,(H2,18,19,20)
PubChem CID25130235
ChEMBLCHEMBL494678
IUPHARN/A
BindingDB26229
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: 14
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2769575-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2769655-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
2769685-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
2769565-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
2769695-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
2769595-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
276967Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
276962Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
276964Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
276963Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
276966Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445
276958Histamine H4 receptorQ91ZY2Hrh4Mus musculus (Mouse)391
276960Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390
276961Histamine H4 receptorQ91ZY1Hrh4Rattus norvegicus (Rat)391

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