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Ligand

NameCHEMBL81703
Molecular formulaC25H25FN2O2S
IUPAC name1-[2-[4-(6-fluoro-1-benzothiophen-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide
Molecular weight436.545
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50145336
1-{2-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide
Inchi KeyADEBGCBREGNKQR-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25FN2O2S/c26-19-2-4-21-22(15-31-24(21)14-19)16-5-9-28(10-6-16)11-7-23-20-3-1-18(25(27)29)13-17(20)8-12-30-23/h1-5,13-15,23H,6-12H2,(H2,27,29)
PubChem CID44460810
ChEMBLCHEMBL81703
IUPHARN/A
BindingDB50145336
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21595-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
21585-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
2160D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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