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Ligand

NameCHEMBL3679384
Molecular formulaC22H26FN5O5
IUPAC name(2R,3R,4S,5R)-2-[6-[[(2R)-2-[(3-fluorophenyl)methoxy]cyclopentyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight459.478
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP2.0
SynonymsBDBM99205
SCHEMBL12193027
US8501708, 29
Inchi KeyCYHRDMKKFSGMNK-HFALVTKESA-N
Inchi IDInChI=1S/C22H26FN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16-,18-,19-,22-/m1/s1
PubChem CID58455974
ChEMBLCHEMBL3679384
IUPHARN/A
BindingDB99205
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
53518Adenosine receptor A1P34970ADORA1Oryctolagus cuniculus (Rabbit)328
537311Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
53517Adenosine receptor A3O02667ADORA3Oryctolagus cuniculus (Rabbit)319

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