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Ligand

NameCHEMBL309872
Molecular formulaC25H26ClN3O2
IUPAC name1-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide
Molecular weight435.952
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.5
Synonyms1-{2-[4-(6-Chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide
BDBM50145342
Inchi KeyBGSCMPXCMQXFNP-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26ClN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)
PubChem CID44461266
ChEMBLCHEMBL309872
IUPHARN/A
BindingDB50145342
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
233825-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
233815-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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