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Ligand

NameCHEMBL397299
Molecular formulaC25H33FN2O2
IUPAC name7-[3-(4-fluoropiperidin-1-yl)propoxy]-4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
Molecular weight412.549
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.5
Synonyms7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(3-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline
BDBM50199601
SCHEMBL1035045
Inchi KeyAJXWEERKJZAIJJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-14-4-11-28-12-9-21(26)10-13-28)7-8-24(20)25(18-27)19-5-3-6-22(15-19)29-2/h3,5-8,15-16,21,25H,4,9-14,17-18H2,1-2H3
PubChem CID11517190
ChEMBLCHEMBL397299
IUPHARN/A
BindingDB50199601
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
7324Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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