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Ligand

NameMLS000705957
Molecular formulaC22H20N2O4
IUPAC name9-(3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(2-phenylethyl)-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione
Molecular weight376.412
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP1.3
Synonyms9-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-2-(2-phenylethyl)-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione
HMS2608A11
9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-quinone
AKOS001684448
Opera_ID_1850
[ Show all ]
Inchi KeyBUOLDNZXUBADKY-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H20N2O4/c25-16-8-9-19(26)18(13-16)17-7-4-11-24-20(27)14-23(22(28)21(17)24)12-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,13H,4,7,10-12,14H2
PubChem CID998883
ChEMBLCHEMBL1522846
IUPHARN/A
BindingDB42248
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
33221C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
33220Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
467005Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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