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Ligand

NameCHEMBL206807
Molecular formulaC22H27N7O6
IUPAC name(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[(4-propoxyphenyl)carbamoylamino]purin-9-yl]oxolane-2-carboxamide
Molecular weight485.501
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP0.6
SynonymsBDBM50179047
N-[(4-Propoxyphenyl)carbamoyl]-5'-(ethylamino)-5'-oxo-5'-deoxyadenosine
1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-6-yl)-3-(4-propoxyphenyl)urea
Inchi KeyALQXBWHXWIDDKS-GRXQJBFDSA-N
Inchi IDInChI=1S/C22H27N7O6/c1-3-9-34-13-7-5-12(6-8-13)27-22(33)28-18-14-19(25-10-24-18)29(11-26-14)21-16(31)15(30)17(35-21)20(32)23-4-2/h5-8,10-11,15-17,21,30-31H,3-4,9H2,1-2H3,(H,23,32)(H2,24,25,27,28,33)/t15-,16+,17-,21+/m0/s1
PubChem CID10648594
ChEMBLCHEMBL206807
IUPHARN/A
BindingDB50179047
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
8514Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
8516Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
8515Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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