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Ligand

NameCHEMBL2113696
Molecular formulaC18H19ClN6O2
IUPAC name(2S,5R)-5-[6-(benzylamino)-2-chloropurin-9-yl]-N-methyloxolane-2-carboxamide
Molecular weight386.84
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.6
SynonymsBDBM50453655
N-Methyl-5alpha-(2-chloro-6-benzylamino-9H-purin-9-yl)tetrahydrofuran-2alpha-carboxamide
Inchi KeyFIIWZBDATTWLSY-QWHCGFSZSA-N
Inchi IDInChI=1S/C18H19ClN6O2/c1-20-17(26)12-7-8-13(27-12)25-10-22-14-15(23-18(19)24-16(14)25)21-9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,20,26)(H,21,23,24)/t12-,13+/m0/s1
PubChem CID11545520
ChEMBLCHEMBL2113696
IUPHARN/A
BindingDB50453655
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
79064Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
79063Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
79062Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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