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Ligand

NameCHEMBL3679378
Molecular formulaC22H26FN5O5
IUPAC name(3R,4S,5R)-2-[6-[[(2S)-2-[(4-fluorophenyl)methoxy]cyclopentyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight459.478
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP2.0
SynonymsUS8501708, 19
BDBM99199
SCHEMBL12193004
Inchi KeyPRXZAKNIYXOOMQ-XCUHZOMWSA-N
Inchi IDInChI=1S/C22H26FN5O5/c23-13-6-4-12(5-7-13)9-32-15-3-1-2-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h4-7,10-11,14-16,18-19,22,29-31H,1-3,8-9H2,(H,24,25,27)/t14?,15-,16+,18+,19+,22?/m0/s1
PubChem CID58455963
ChEMBLCHEMBL3679378
IUPHARN/A
BindingDB99199
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
267301Adenosine receptor A1P34970ADORA1Oryctolagus cuniculus (Rabbit)328
543174Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
267300Adenosine receptor A3O02667ADORA3Oryctolagus cuniculus (Rabbit)319

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