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Ligand

NameCHEMBL413046
Molecular formulaC26H31N7O6
IUPAC name(2S,3S,4R,5R)-N-ethyl-5-[2-hex-1-ynyl-6-[(4-methoxyphenyl)carbamoylamino]purin-9-yl]-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight537.577
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP2.0
SynonymsBDBM50179034
N-[(4-Methoxyanilino)carbonyl]-5'-(ethylamino)-5'-oxo-5'-deoxy-2-(1-hexynyl)adenosine
1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-2-(hex-1-ynyl)-9H-purin-6-yl)-3-(4-methoxyphenyl)urea
Inchi KeyAOGVIQYJUIIKMJ-UGCAPWQASA-N
Inchi IDInChI=1S/C26H31N7O6/c1-4-6-7-8-9-17-30-22(32-26(37)29-15-10-12-16(38-3)13-11-15)18-23(31-17)33(14-28-18)25-20(35)19(34)21(39-25)24(36)27-5-2/h10-14,19-21,25,34-35H,4-7H2,1-3H3,(H,27,36)(H2,29,30,31,32,37)/t19-,20+,21-,25+/m0/s1
PubChem CID10530438
ChEMBLCHEMBL413046
IUPHARN/A
BindingDB50179034
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10227Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
10226Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
10225Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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