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Ligand

NameCHEMBL235824
Molecular formulaC25H33FN2O2
IUPAC name(4S)-7-[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
Synonyms(S)-7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline
BDBM50217594
Inchi KeyAHOJZWPBIHIALS-VWLOTQADSA-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/t25-/m0/s1
PubChem CID44434236
ChEMBLCHEMBL235824
IUPHARN/A
BindingDB50217594
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
5733Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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