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Ligand

NameMLS003271268
Molecular formulaC22H27N7O4
IUPAC name(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]oxolane-2-carboxamide
Molecular weight453.503
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP0.3
Synonyms(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-oxolanecarboxamide
cid_51360281
(2S,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]tetrahydrofuran-2-carboxamide
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]oxolane-2-carboxamide
CHEMBL2130641
[ Show all ]
Inchi KeyBEEKFKNMYOAQGU-RQXXJAGISA-N
Inchi IDInChI=1S/C22H27N7O4/c1-27-7-3-4-13-8-12(5-6-14(13)27)9-28(2)21(32)18-16(30)17(31)22(33-18)29-11-26-15-19(23)24-10-25-20(15)29/h5-6,8,10-11,16-18,22,30-31H,3-4,7,9H2,1-2H3,(H2,23,24,25)/t16-,17+,18-,22+/m0/s1
PubChem CID51360281
ChEMBLCHEMBL2130641
IUPHARN/A
BindingDB97189
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
21492Galanin receptor type 3O60755GALR3Homo sapiens (Human)368

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