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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameUS8501708, 15
Molecular formulaC23H29N5O5
IUPAC name(2R,3S,4R)-2-(hydroxymethyl)-5-[6-[(2-phenylmethoxycyclohexyl)amino]purin-9-yl]oxolane-3,4-diol
Molecular weight455.515
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP2.3
SynonymsUS8501708, 14
CHEMBL3674591
BDBM99194
SCHEMBL12192991
Inchi KeyJNBXZKKJHPLGEA-DEPJIMBQSA-N
Inchi IDInChI=1S/C23H29N5O5/c29-10-17-19(30)20(31)23(33-17)28-13-26-18-21(24-12-25-22(18)28)27-15-8-4-5-9-16(15)32-11-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-17,19-20,23,29-31H,4-5,8-11H2,(H,24,25,27)/t15?,16?,17-,19-,20-,23?/m1/s1
PubChem CID58455966
ChEMBLCHEMBL3674591
IUPHARN/A
BindingDB99194
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
154976Adenosine receptor A1P34970ADORA1Oryctolagus cuniculus (Rabbit)328
539958Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
154975Adenosine receptor A3O02667ADORA3Oryctolagus cuniculus (Rabbit)319

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