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Ligand

NameCHEMBL2113633
Molecular formulaC20H23N7O6
IUPAC name(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[(3-methoxyphenyl)carbamoylamino]purin-9-yl]oxolane-2-carboxamide
Molecular weight457.447
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP-0.3
SynonymsBDBM50454467
Inchi KeyDYMZKXRKZCVAFC-QCUYGVNKSA-N
Inchi IDInChI=1S/C20H23N7O6/c1-3-21-18(30)15-13(28)14(29)19(33-15)27-9-24-12-16(22-8-23-17(12)27)26-20(31)25-10-5-4-6-11(7-10)32-2/h4-9,13-15,19,28-29H,3H2,1-2H3,(H,21,30)(H2,22,23,25,26,31)/t13-,14+,15-,19+/m0/s1
PubChem CID10837549
ChEMBLCHEMBL2113633
IUPHARN/A
BindingDB50454467
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
72120Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
72122Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
72121Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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