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Ligand

NameCHEMBL2436621
Molecular formulaC26H31FN8O2S
IUPAC name8-[1-[1-[(2-aminopyridin-4-yl)methyl]-4-fluoropiperidine-4-carbonyl]piperidin-4-yl]-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-7-one
Molecular weight538.646
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP1.5
SynonymsBDBM50441510
Inchi KeyCTGSDVZVJSPCBE-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31FN8O2S/c1-17-30-31-22-16-34(23(36)20-5-13-38-24(20)35(17)22)19-3-9-33(10-4-19)25(37)26(27)6-11-32(12-7-26)15-18-2-8-29-21(28)14-18/h2,5,8,13-14,19H,3-4,6-7,9-12,15-16H2,1H3,(H2,28,29)
PubChem CID72375121
ChEMBLCHEMBL2436621
IUPHARN/A
BindingDB50441510
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
50092Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
50093Histamine H3 receptorP58406Hrh3Mus musculus (Mouse)445

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