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Ligand

NameCHEMBL3679379
Molecular formulaC25H33N5O5
IUPAC name(2R,3S,4R)-2-(hydroxymethyl)-5-[6-[[(2S)-2-[(4-propan-2-ylphenyl)methoxy]cyclopentyl]amino]purin-9-yl]oxolane-3,4-diol
Molecular weight483.569
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP3.1
SynonymsUS8501708, 20
BDBM99200
SCHEMBL12193006
Inchi KeyHEHPEMPIIGZAPY-FNAJLOLUSA-N
Inchi IDInChI=1S/C25H33N5O5/c1-14(2)16-8-6-15(7-9-16)11-34-18-5-3-4-17(18)29-23-20-24(27-12-26-23)30(13-28-20)25-22(33)21(32)19(10-31)35-25/h6-9,12-14,17-19,21-22,25,31-33H,3-5,10-11H2,1-2H3,(H,26,27,29)/t17?,18-,19+,21+,22+,25?/m0/s1
PubChem CID58455960
ChEMBLCHEMBL3679379
IUPHARN/A
BindingDB99200
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
112748Adenosine receptor A1P34970ADORA1Oryctolagus cuniculus (Rabbit)328
538742Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
112749Adenosine receptor A3O02667ADORA3Oryctolagus cuniculus (Rabbit)319

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