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Ligand

NameSMR000064312
Molecular formulaC24H20N4O4S
IUPAC nameethyl 3-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate
Molecular weight460.508
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.5
SynonymsMLS001332945
AKOS002454145
Z16438797
ethyl 3-({[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}methyl)-1-benzofuran-2-carboxylate
MCULE-5793818678
[ Show all ]
Inchi KeyAECYODWCZDSZKU-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H20N4O4S/c1-3-13-27-21(29)16-10-5-7-11-18(16)28-23(27)25-26-24(28)33-14-17-15-9-6-8-12-19(15)32-20(17)22(30)31-4-2/h3,5-12H,1,4,13-14H2,2H3
PubChem CID2997862
ChEMBLCHEMBL1869459
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463285Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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