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Ligand

NameCHEMBL218837
Molecular formulaC19H20ClN7O5
IUPAC name(2S,3S,4R,5R)-5-[6-[2-(4-chlorobenzoyl)hydrazinyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight461.863
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP0.9
SynonymsBDBM50202563
1-deoxy-1-[6-(N''-(4-chlorobenzoyl)hydrazino)-9H-purin-9-yl]-N-ethyl-beta-D-ribofuranuronamide
Inchi KeyADGZWPRSMZNOJQ-SSHHRWTQSA-N
Inchi IDInChI=1S/C19H20ClN7O5/c1-2-21-18(31)14-12(28)13(29)19(32-14)27-8-24-11-15(22-7-23-16(11)27)25-26-17(30)9-3-5-10(20)6-4-9/h3-8,12-14,19,28-29H,2H2,1H3,(H,21,31)(H,26,30)(H,22,23,25)/t12-,13+,14-,19+/m0/s1
PubChem CID16103163
ChEMBLCHEMBL218837
IUPHARN/A
BindingDB50202563
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2309Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
2308Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
2310Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
441766Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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