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Ligand

NameCHEMBL279320
Molecular formulaC27H36FN5O3
IUPAC name1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]urea
Molecular weight497.615
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.4
SynonymsBDBM50086106
1-[3-(2-Dimethylamino-ethoxy)-4-methoxy-phenyl]-3-{2-[4-(6-fluoro-1H-indol-3-yl)-piperidin-1-yl]-ethyl}-urea
1-[3-[2-(Dimethylamino)ethoxy]-4-methoxyphenyl]-3-[2-[4-(6-fluoro-1H-indole-3-yl)piperidino]ethyl]urea
Inchi KeyDOWMZCCWUBICMR-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H36FN5O3/c1-32(2)14-15-36-26-17-21(5-7-25(26)35-3)31-27(34)29-10-13-33-11-8-19(9-12-33)23-18-30-24-16-20(28)4-6-22(23)24/h4-7,16-19,30H,8-15H2,1-3H3,(H2,29,31,34)
PubChem CID10696635
ChEMBLCHEMBL279320
IUPHARN/A
BindingDB50086106
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
654175-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
654185-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
654195-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374

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