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Ligand

Name899748-38-0
Molecular formulaC17H22N4O3S
IUPAC name5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
Molecular weight362.448
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP1.3
SynonymsAC1OMQHD
VU0500145-1
CHEMBL3979438
5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
MolPort-003-169-612
[ Show all ]
Inchi KeyUXZWOYVWTCPMFK-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H22N4O3S/c1-19-15-14(16(23)20(2)17(19)24)12(7-8-18-15)25-11-13(22)21-9-5-3-4-6-10-21/h7-8H,3-6,9-11H2,1-2H3
PubChem CID7424414
ChEMBLCHEMBL3979438
IUPHARN/A
BindingDB211241
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
521061Taste receptor type 2 member 14Q9NYV8TAS2R14Homo sapiens (Human)317

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