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Ligand

NameCHEMBL344187
Molecular formulaC19H19IN6O4
IUPAC name(2R,3R,4S,5S)-3,4-dihydroxy-2-[6-[(3-iodophenyl)methylamino]purin-9-yl]-1-oxa-7-azaspiro[4.4]nonan-6-one
Molecular weight522.303
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP0.3
Synonyms(2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylamino)-purin-9-yl]-1-oxa-7-aza-spiro[4.4]nonan-6-one
3,4-Dihydroxy-2-[6-(3-iodo-benzylamino)-purin-9-yl]-1-oxa-7-aza-spiro[4.4]nonan-6-one
BDBM50118803
Inchi KeyGFHAZFGYXHKHAK-AHMDFLBRSA-N
Inchi IDInChI=1S/C19H19IN6O4/c20-11-3-1-2-10(6-11)7-22-15-12-16(24-8-23-15)26(9-25-12)17-13(27)14(28)19(30-17)4-5-21-18(19)29/h1-3,6,8-9,13-14,17,27-28H,4-5,7H2,(H,21,29)(H,22,23,24)/t13-,14+,17-,19+/m1/s1
PubChem CID11027743
ChEMBLCHEMBL344187
IUPHARN/A
BindingDB50118803
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
95075Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
95072Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
95073Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
95074Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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