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Ligand

NameSMR000154711
Molecular formulaC23H22N2O4S
IUPAC name2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one
Molecular weight422.499
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.3
Synonyms849603-35-6
MLS002633193
2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one
MCULE-5299388655
AC1M93AD
[ Show all ]
Inchi KeyAFXFBLLMQINSEP-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22N2O4S/c1-14-8-9-17-16(12-20(27)29-21(17)15(14)2)13-30-23-24-19-7-4-3-6-18(19)22(28)25(23)10-5-11-26/h3-4,6-9,12,26H,5,10-11,13H2,1-2H3
PubChem CID2575417
ChEMBLCHEMBL1438530
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4585Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
4586Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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