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Ligand

NameCHEMBL202722
Molecular formulaC25H24N6O5
IUPAC name(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[(4-phenylbenzoyl)amino]purin-9-yl]oxolane-2-carboxamide
Molecular weight488.504
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.9
SynonymsBDBM50179025
N-[(1,1'-Biphenyl-4-yl)carbonyl]-5'-(ethylamino)-5'-oxo-5'-deoxyadenosine
(2S,3S,4R,5R)-5-{6-[(Biphenyl-4-carbonyl)-amino]-purin-9-yl}-3,4-dihydroxy-tetrahydro-furan-2-carboxylicacid ethylamide
Inchi KeyFBMOMQNCWCOOAE-PBQROFAYSA-N
Inchi IDInChI=1S/C25H24N6O5/c1-2-26-24(35)20-18(32)19(33)25(36-20)31-13-29-17-21(27-12-28-22(17)31)30-23(34)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13,18-20,25,32-33H,2H2,1H3,(H,26,35)(H,27,28,30,34)/t18-,19+,20-,25+/m0/s1
PubChem CID10529007
ChEMBLCHEMBL202722
IUPHARN/A
BindingDB50179025
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
74347Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
74346Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
74348Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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