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Ligand

NameCHEMBL3679382
Molecular formulaC23H28ClN5O5
IUPAC name(3R,4S,5R)-2-[2-chloro-6-[[(2S)-2-[(3-methylphenyl)methoxy]cyclopentyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight489.957
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP2.4
SynonymsBDBM99203
SCHEMBL12193012
US8501708, 23
Inchi KeyNYDFVRTWEYFDIK-XCUHZOMWSA-N
Inchi IDInChI=1S/C23H28ClN5O5/c1-12-4-2-5-13(8-12)10-33-15-7-3-6-14(15)26-20-17-21(28-23(24)27-20)29(11-25-17)22-19(32)18(31)16(9-30)34-22/h2,4-5,8,11,14-16,18-19,22,30-32H,3,6-7,9-10H2,1H3,(H,26,27,28)/t14?,15-,16+,18+,19+,22?/m0/s1
PubChem CID58455976
ChEMBLCHEMBL3679382
IUPHARN/A
BindingDB99203
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
234882Adenosine receptor A1P34970ADORA1Oryctolagus cuniculus (Rabbit)328
542196Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
234883Adenosine receptor A3O02667ADORA3Oryctolagus cuniculus (Rabbit)319

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