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Ligand

NameSMR000030980
Molecular formulaC18H24N4O2S
IUPAC name6-morpholin-4-yl-3-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one
Molecular weight360.476
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.5
Synonyms6-morpholin-4-yl-3-(2-pyrrolidin-1-ylethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
HMS2391K19
ZINC20644533
AC1MMBU7
MLS002588591
[ Show all ]
Inchi KeyABZJJNYCDSEYKI-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H24N4O2S/c23-17-15-13-14(21-9-11-24-12-10-21)3-4-16(15)19-18(25)22(17)8-7-20-5-1-2-6-20/h3-4,13H,1-2,5-12H2,(H,19,25)
PubChem CID3236299
ChEMBLCHEMBL1327884
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
1336Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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