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Ligand

NameCHEMBL2113613
Molecular formulaC19H21IN6O4
IUPAC name(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]oxolane-2-carboxamide
Molecular weight524.319
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.3
SynonymsBDBM50453539
DVCZFHQLDLXEIA-QCUYGVNKSA-N
SCHEMBL16585410
Adenosine, N(6)-[3-iodobenzyl]-4'-[N-ethylcarbamoyl]-4'-dehydroxymethyl
5'-Ethylamino-N-(3-iodobenzyl)-5'-oxo-5'-deoxyadenosine
Inchi KeyDVCZFHQLDLXEIA-QCUYGVNKSA-N
Inchi IDInChI=1S/C19H21IN6O4/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,21,29)(H,22,23,24)/t13-,14+,15-,19+/m0/s1
PubChem CID10481912
ChEMBLCHEMBL2113613
IUPHARN/A
BindingDB50453539
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
69807Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
69806Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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