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Ligand

NameMLS000591112
Molecular formulaC26H21N5O4S
IUPAC name2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
Molecular weight499.545
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.7
Synonyms2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
cid_1553782
AC1LT8IZ
SMR000217910
2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]ethanamide
[ Show all ]
Inchi KeyABUKZRRTEZITBR-JOARMNLUSA-N
Inchi IDInChI=1S/C26H21N5O4S/c1-18-9-2-6-14-22(18)30-25(33)20-12-4-5-13-21(20)28-26(30)36-17-24(32)29-27-16-8-11-19-10-3-7-15-23(19)31(34)35/h2-16H,17H2,1H3,(H,29,32)/b11-8+,27-16+
PubChem CID1553782
ChEMBLCHEMBL3190240
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
1193Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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