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Ligand

NameCHEMBL175444
Molecular formulaC20H20ClIN6O3
IUPAC name(1R,2R,3S,4R,5S)-4-[6-[(3-chlorophenyl)methylamino]-2-iodopurin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight554.773
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP1.7
SynonymsCHEMBL2368367
1N-methyl-4-[6-(3-chlorobenzylamino)-2-iodo-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide
(1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-iodo-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
BDBM50163012
Inchi KeyQCATUPVGQKLFCK-KZOVSVDNSA-N
Inchi IDInChI=1S/C20H20ClIN6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(22)27-17(12)28)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20-/m1/s1
PubChem CID73345316
ChEMBLCHEMBL2368367
IUPHARN/A
BindingDB50163012
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
274617Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
274622Adenosine receptor A1Q60612Adora1Mus musculus (Mouse)326
274619Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
274623Adenosine receptor A2aQ60613Adora2aMus musculus (Mouse)410
274618Adenosine receptor A3Q61618Adora3Mus musculus (Mouse)319
274620Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
274621Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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