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Ligand

NameSCHEMBL606676
Molecular formulaC19H25N5
IUPAC name9-phenyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
Molecular weight323.444
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.9
SynonymsCHEMBL492231
BDBM26400
2,4-diamino-5,6-disubstituted pyrimidine, 14
9-phenyl-4-(piperazin-1-yl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-amine
Inchi KeyLTSQOGQDXSXTPV-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H25N5/c20-19-22-17-15(14-6-2-1-3-7-14)8-4-5-9-16(17)18(23-19)24-12-10-21-11-13-24/h1-3,6-7,15,21H,4-5,8-13H2,(H2,20,22,23)
PubChem CID25129169
ChEMBLCHEMBL492231
IUPHARN/A
BindingDB26400
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
196196Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445
196197Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
196193Histamine H4 receptorQ91ZY1Hrh4Rattus norvegicus (Rat)391
196194Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390
196195Histamine H4 receptorQ91ZY2Hrh4Mus musculus (Mouse)391

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