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Ligand

NameCHEMBL511279
Molecular formulaC26H28F2N4O2
IUPAC name4-(2,2-difluoroethyl)-8-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one
Molecular weight466.533
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50413557
Inchi KeyBILQJDKHRSUCQZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H28F2N4O2/c1-18-8-9-20-21(29-18)5-3-6-22(20)31-14-12-30(13-15-31)11-10-19-4-2-7-23-26(19)34-17-25(33)32(23)16-24(27)28/h2-9,24H,10-17H2,1H3
PubChem CID44592252
ChEMBLCHEMBL511279
IUPHARN/A
BindingDB50413557
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
245345-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
245365-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
245355-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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