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Ligand

NameMPC-MECA
Molecular formulaC20H24N6O5
IUPAC name(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[(4-methoxyphenyl)methylamino]purin-9-yl]oxolane-2-carboxamide
Molecular weight428.449
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP0.6
SynonymsCHEMBL2113610
D07ZQB
GTPL460
BNXGNSTUSRFBCI-KSVNGYGVSA-N
BDBM50453540
[ Show all ]
Inchi KeyBNXGNSTUSRFBCI-KSVNGYGVSA-N
Inchi IDInChI=1S/C20H24N6O5/c1-3-21-19(29)16-14(27)15(28)20(31-16)26-10-25-13-17(23-9-24-18(13)26)22-8-11-4-6-12(30-2)7-5-11/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1
PubChem CID10432715
ChEMBLCHEMBL2113610
IUPHAR460
BindingDB50453540
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
28517Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
28519Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
553403Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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