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Ligand

NameCHEMBL246598
Molecular formulaC28H33N3O3
IUPAC name4-ethyl-6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-1,4-benzoxazin-3-one
Molecular weight459.59
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.8
SynonymsSCHEMBL5214738
Inchi KeyAVSPJTOPUUMEGQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H33N3O3/c1-3-31-25-18-22(8-10-27(25)34-19-28(31)32)17-21-11-13-30(14-12-21)15-16-33-26-6-4-5-24-23(26)9-7-20(2)29-24/h4-10,18,21H,3,11-17,19H2,1-2H3
PubChem CID22326688
ChEMBLCHEMBL246598
IUPHARN/A
BindingDBN/A
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
155975-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
155995-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
155985-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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