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Ligand

NameCHEMBL1084810
Molecular formulaC25H31FN4O
IUPAC name2-[4-[3-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)propoxy]-2-methylphenyl]-5-fluoro-4-methyl-1H-benzimidazole
Molecular weight422.548
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50319283
(+/-)-5-fluoro-4-methyl-2-(2-methyl-4-(3-(tetrahydro-1H-pyrrolo[3,4-b]pyridin-6(2H,7H,7aH)-yl)propoxy)phenyl)-1H-benzo[d]imidazole
Inchi KeyVORZMLWIEYTBEN-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31FN4O/c1-16-13-19(31-12-4-11-30-14-18-5-3-10-27-23(18)15-30)6-7-20(16)25-28-22-9-8-21(26)17(2)24(22)29-25/h6-9,13,18,23,27H,3-5,10-12,14-15H2,1-2H3,(H,28,29)
PubChem CID46890590
ChEMBLCHEMBL1084810
IUPHARN/A
BindingDB50319283
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
360403Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390
360404Histamine H4 receptorQ91ZY2Hrh4Mus musculus (Mouse)391

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