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Ligand

NameCHEMBL470849
Molecular formulaC25H28N4O2
IUPAC name8-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one
Molecular weight416.525
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50413566
Inchi KeyACMJXMGGOZMZJM-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N4O2/c1-18-10-11-20-21(26-18)7-3-9-23(20)29-15-13-28(14-16-29)12-4-6-19-5-2-8-22-25(19)31-17-24(30)27-22/h2-3,5,7-11H,4,6,12-17H2,1H3,(H,27,30)
PubChem CID44592371
ChEMBLCHEMBL470849
IUPHARN/A
BindingDB50413566
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
16975-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
16965-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
16985-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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