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Ligand

NameCHEMBL1089040
Molecular formulaC20H27N5
IUPAC name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-8-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
Molecular weight337.471
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.2
SynonymsSCHEMBL4067179
BDBM50415768
Inchi KeyILOMBVURTLNCEQ-OEMAIJDKSA-N
Inchi IDInChI=1S/C20H27N5/c1-22-16-10-11-25(13-16)19-17-9-5-8-15(14-6-3-2-4-7-14)12-18(17)23-20(21)24-19/h2-4,6-7,15-16,22H,5,8-13H2,1H3,(H2,21,23,24)/t15?,16-/m1/s1
PubChem CID46881855
ChEMBLCHEMBL1089040
IUPHARN/A
BindingDB50415768
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
136156Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445
136159Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
136157Histamine H4 receptorQ91ZY1Hrh4Rattus norvegicus (Rat)391
136158Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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