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Ligand

NameCHEMBL233054
Molecular formulaC25H33FN2O2
IUPAC name7-[3-(4-fluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
Molecular weight412.549
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.5
SynonymsSCHEMBL1036990
AHOJZWPBIHIALS-UHFFFAOYSA-N
BDBM50198593
7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline
7-[3-(4-Fluoro-piperidin-1-yl)-propoxy]-4-(4-methoxy-phenyl)-2-methyl-1,2,3,4-tetrahydro-isoquinoline
Inchi KeyAHOJZWPBIHIALS-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3
PubChem CID11582342
ChEMBLCHEMBL233054
IUPHARN/A
BindingDB50198593
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
5732Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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