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Ligand

NameCHEMBL392115
Molecular formulaC19H23N5O3
IUPAC name9-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight369.425
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.4
Synonyms9-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]purine-2,4(1H,3H)-dione
BDBM50221700
Inchi KeyAHQHLUGQZGJZOR-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23N5O3/c1-12(15(25)13-8-5-4-6-9-13)23-10-7-11-24-14-16(20-18(23)24)21(2)19(27)22(3)17(14)26/h4-6,8-9,12,15,25H,7,10-11H2,1-3H3
PubChem CID44437216
ChEMBLCHEMBL392115
IUPHARN/A
BindingDB50221700
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5801Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
5800Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410

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