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Ligand

NameCHEMBL274022
Molecular formulaC19H23N5O4
IUPAC name2-(hydroxymethyl)-5-[6-(1-phenylpropan-2-ylamino)purin-9-yl]oxolane-3,4-diol
Molecular weight385.424
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.0
SynonymsSMR000326849
BDBM50006730
L-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
()-N6-(2-Phenylisopropyl)adenosine
2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
[ Show all ]
Inchi KeyRIRGCFBBHQEQQH-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)
PubChem CID5022
ChEMBLN/A
IUPHARN/A
BindingDB50006730
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: 12
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
297124Adenosine receptor A1P49892ADORA1Gallus gallus (Chicken)324
297125Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326
297126Adenosine receptor A1P34970ADORA1Oryctolagus cuniculus (Rabbit)328
297127Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
297129Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
297131Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
297132Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
297130Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
297122Adenosine receptor A3P35342ADORA3Ovis aries (Sheep)317
297123Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
297128Adenosine receptor A3O02667ADORA3Oryctolagus cuniculus (Rabbit)319
297121P2Y purinoceptor 2P58825P2RY2Cricetulus griseus (Chinese hamster)166

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